1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea

C133H130Cl7F2N35O6 — CID 173041229

IUPAC1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea
SMILESNCCCNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCl)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCN1CCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCn1ccnc1)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12.O=C(NCCN1CCCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C26H24ClN7O.2C20H22ClN5O.C20H18F2N6O.C17H16Cl2N4O.C17H18ClN5O.C13H10ClN3/c27-22-14-23-21(13-20(22)18-7-2-1-3-8-18)25(33-32-23)31-26(35)29-11-4-5-12-34-16-24(30-17-34)19-9-6-10-28-15-19;21-17-13-18-16(12-15(17)14-6-2-1-3-7-14)19(25-24-18)23-20(27)22-8-4-9-26-10-5-11-26;21-17-13-18-16(12-15(17)14-6-2-1-3-7-14)19(25-24-18)23-20(27)22-8-11-26-9-4-5-10-26;21-16-14(13-5-2-1-3-6-13)11-15-18(17(16)22)26-27-19(15)25-20(29)24-7-4-9-28-10-8-23-12-28;18-7-4-8-20-17(24)21-16-13-9-12(11-5-2-1-3-6-11)14(19)10-15(13)22-23-16;18-14-10-15-13(9-12(14)11-5-2-1-3-6-11)16(23-22-15)21-17(24)20-8-4-7-19;14-11-7-12-10(13(15)17-16-12)6-9(11)8-4-2-1-3-5-8/h1-3,6-10,13-17H,4-5,11-12H2,(H3,29,31,32,33,35);2*1-3,6-7,12-13H,4-5,8-11H2,(H3,22,23,24,25,27);1-3,5-6,8,10-12H,4,7,9H2,(H3,24,25,26,27,29);1-3,5-6,9-10H,4,7-8H2,(H3,20,21,22,23,24);1-3,5-6,9-10H,4,7-8,19H2,(H3,20,21,22,23,24);1-7H,(H3,15,16,17)
InChIKeyMWRZLGLUTCFERQ-UHFFFAOYSA-N
MW2600.91 g/mol
LogP29.31
Rot. Bonds36

About 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea

1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 173041229) has the molecular formula C133H130Cl7F2N35O6 and a molecular weight of 2600.91 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea
PubChem CID173041229
Molecular FormulaC133H130Cl7F2N35O6
Molecular Weight2600.91 g/mol
Exact Mass2595.87
IUPAC Name1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea
SMILESNCCCNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCl)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCN1CCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCn1ccnc1)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12.O=C(NCCN1CCCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C26H24ClN7O.2C20H22ClN5O.C20H18F2N6O.C17H16Cl2N4O.C17H18ClN5O.C13H10ClN3/c27-22-14-23-21(13-20(22)18-7-2-1-3-8-18)25(33-32-23)31-26(35)29-11-4-5-12-34-16-24(30-17-34)19-9-6-10-28-15-19;21-17-13-18-16(12-15(17)14-6-2-1-3-7-14)19(25-24-18)23-20(27)22-8-4-9-26-10-5-11-26;21-17-13-18-16(12-15(17)14-6-2-1-3-7-14)19(25-24-18)23-20(27)22-8-11-26-9-4-5-10-26;21-16-14(13-5-2-1-3-6-13)11-15-18(17(16)22)26-27-19(15)25-20(29)24-7-4-9-28-10-8-23-12-28;18-7-4-8-20-17(24)21-16-13-9-12(11-5-2-1-3-6-11)14(19)10-15(13)22-23-16;18-14-10-15-13(9-12(14)11-5-2-1-3-6-11)16(23-22-15)21-17(24)20-8-4-7-19;14-11-7-12-10(13(15)17-16-12)6-9(11)8-4-2-1-3-5-8/h1-3,6-10,13-17H,4-5,11-12H2,(H3,29,31,32,33,35);2*1-3,6-7,12-13H,4-5,8-11H2,(H3,22,23,24,25,27);1-3,5-6,8,10-12H,4,7,9H2,(H3,24,25,26,27,29);1-3,5-6,9-10H,4,7-8H2,(H3,20,21,22,23,24);1-3,5-6,9-10H,4,7-8,19H2,(H3,20,21,22,23,24);1-7H,(H3,15,16,17)
InChIKeyMWRZLGLUTCFERQ-UHFFFAOYSA-N
XLogP29.31
TPSA554.59 Ų
H-Bond Donors21
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002600.91
LogP ≤ 529.31
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea (CID 173041229) is 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea is NCCCNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCl)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCN1CCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCn1ccnc1)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12.O=C(NCCN1CCCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is MWRZLGLUTCFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O.2C20H22ClN5O.C20H18F2N6O.C17H16Cl2N4O.C17H18ClN5O.C13H10ClN3/c27-22-14-23-21(13-20(22)18-7-2-1-3-8-18)25(33-32-23)31-26(35)29-11-4-5-12-34-16-24(30-17-34)19-9-6-10-28-15-19;21-17-13-18-16(12-15(17)14-6-2-1-3-7-14)19(25-24-18)23-20(27)22-8-4-9-26-10-5-11-26;21-17-13-18-16(12-15(17)14-6-2-1-3-7-14)19(25-24-18)23-20(27)22-8-11-26-9-4-5-10-26;21-16-14(13-5-2-1-3-6-13)11-15-18(17(16)22)26-27-19(15)25-20(29)24-7-4-9-28-10-8-23-12-28;18-7-4-8-20-17(24)21-16-13-9-12(11-5-2-1-3-6-11)14(19)10-15(13)22-23-16;18-14-10-15-13(9-12(14)11-5-2-1-3-6-11)16(23-22-15)21-17(24)20-8-4-7-19;14-11-7-12-10(13(15)17-16-12)6-9(11)8-4-2-1-3-5-8/h1-3,6-10,13-17H,4-5,11-12H2,(H3,29,31,32,33,35);2*1-3,6-7,12-13H,4-5,8-11H2,(H3,22,23,24,25,27);1-3,5-6,8,10-12H,4,7,9H2,(H3,24,25,26,27,29);1-3,5-6,9-10H,4,7-8H2,(H3,20,21,22,23,24);1-3,5-6,9-10H,4,7-8,19H2,(H3,20,21,22,23,24);1-7H,(H3,15,16,17).
What are the key properties of 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 2600.91 g/mol, XLogP of 29.31, 36 rotatable bonds, 21 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;1-[3-(azetidin-1-yl)propyl]-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea;6-chloro-5-phenyl-1H-indazol-3-amine;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(3-chloropropyl)urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea;1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea;1-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 173041229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).