N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C110H103Cl5N20O10 — CID 160916362

IUPACN-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(=O)N1CC(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1.COc1ccc(-n2cc(C(C)NC(=O)c3cc4cc(Cl)ccc4[nH]3)cn2)cc1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cn1.O=C(NC1(C2CCOCC2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccn(-c3ccccc3)n2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H19ClN4O2.C21H17ClN4O.C18H15ClN2O2.C17H19ClN2O2.C17H15N5O.C16H18ClN3O2/c1-13(15-11-23-26(12-15)17-4-6-18(28-2)7-5-17)24-21(27)20-10-14-9-16(22)3-8-19(14)25-20;22-15-6-7-17-14(12-15)13-18(23-17)20(27)24-21(9-10-21)19-8-11-26(25-19)16-4-2-1-3-5-16;19-14-6-7-15-12(8-14)9-16(20-15)17(22)21-18(10-23-11-18)13-4-2-1-3-5-13;18-13-1-2-14-11(9-13)10-15(19-14)16(21)20-17(5-6-17)12-3-7-22-8-4-12;1-22-10-13(9-19-22)17(4-5-17)21-16(23)15-7-12-6-11(8-18)2-3-14(12)20-15;1-9(12-7-20(8-12)10(2)21)18-16(22)15-6-11-5-13(17)3-4-14(11)19-15/h3-13,25H,1-2H3,(H,24,27);1-8,11-13,23H,9-10H2,(H,24,27);1-9,20H,10-11H2,(H,21,22);1-2,9-10,12,19H,3-8H2,(H,20,21);2-3,6-7,9-10,20H,4-5H2,1H3,(H,21,23);3-6,9,12,19H,7-8H2,1-2H3,(H,18,22)
InChIKeySRLKGQQYBHSFHU-UHFFFAOYSA-N
MW2042.43 g/mol
LogP20.53
Rot. Bonds21

About N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 160916362) has the molecular formula C110H103Cl5N20O10 and a molecular weight of 2042.43 g/mol. Its IUPAC name is N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID160916362
Molecular FormulaC110H103Cl5N20O10
Molecular Weight2042.43 g/mol
Exact Mass2038.66
IUPAC NameN-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(=O)N1CC(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1.COc1ccc(-n2cc(C(C)NC(=O)c3cc4cc(Cl)ccc4[nH]3)cn2)cc1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cn1.O=C(NC1(C2CCOCC2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccn(-c3ccccc3)n2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H19ClN4O2.C21H17ClN4O.C18H15ClN2O2.C17H19ClN2O2.C17H15N5O.C16H18ClN3O2/c1-13(15-11-23-26(12-15)17-4-6-18(28-2)7-5-17)24-21(27)20-10-14-9-16(22)3-8-19(14)25-20;22-15-6-7-17-14(12-15)13-18(23-17)20(27)24-21(9-10-21)19-8-11-26(25-19)16-4-2-1-3-5-16;19-14-6-7-15-12(8-14)9-16(20-15)17(22)21-18(10-23-11-18)13-4-2-1-3-5-13;18-13-1-2-14-11(9-13)10-15(19-14)16(21)20-17(5-6-17)12-3-7-22-8-4-12;1-22-10-13(9-19-22)17(4-5-17)21-16(23)15-7-12-6-11(8-18)2-3-14(12)20-15;1-9(12-7-20(8-12)10(2)21)18-16(22)15-6-11-5-13(17)3-4-14(11)19-15/h3-13,25H,1-2H3,(H,24,27);1-8,11-13,23H,9-10H2,(H,24,27);1-9,20H,10-11H2,(H,21,22);1-2,9-10,12,19H,3-8H2,(H,20,21);2-3,6-7,9-10,20H,4-5H2,1H3,(H,21,23);3-6,9,12,19H,7-8H2,1-2H3,(H,18,22)
InChIKeySRLKGQQYBHSFHU-UHFFFAOYSA-N
XLogP20.53
TPSA394.59 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.43
LogP ≤ 520.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 160916362) is N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CC(=O)N1CC(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1.COc1ccc(-n2cc(C(C)NC(=O)c3cc4cc(Cl)ccc4[nH]3)cn2)cc1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cn1.O=C(NC1(C2CCOCC2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccn(-c3ccccc3)n2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is SRLKGQQYBHSFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2.C21H17ClN4O.C18H15ClN2O2.C17H19ClN2O2.C17H15N5O.C16H18ClN3O2/c1-13(15-11-23-26(12-15)17-4-6-18(28-2)7-5-17)24-21(27)20-10-14-9-16(22)3-8-19(14)25-20;22-15-6-7-17-14(12-15)13-18(23-17)20(27)24-21(9-10-21)19-8-11-26(25-19)16-4-2-1-3-5-16;19-14-6-7-15-12(8-14)9-16(20-15)17(22)21-18(10-23-11-18)13-4-2-1-3-5-13;18-13-1-2-14-11(9-13)10-15(19-14)16(21)20-17(5-6-17)12-3-7-22-8-4-12;1-22-10-13(9-19-22)17(4-5-17)21-16(23)15-7-12-6-11(8-18)2-3-14(12)20-15;1-9(12-7-20(8-12)10(2)21)18-16(22)15-6-11-5-13(17)3-4-14(11)19-15/h3-13,25H,1-2H3,(H,24,27);1-8,11-13,23H,9-10H2,(H,24,27);1-9,20H,10-11H2,(H,21,22);1-2,9-10,12,19H,3-8H2,(H,20,21);2-3,6-7,9-10,20H,4-5H2,1H3,(H,21,23);3-6,9,12,19H,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 2042.43 g/mol, XLogP of 20.53, 21 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylazetidin-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 160916362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).