5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide

C33H29Cl2N7O3 — CID 137379669

IUPAC5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC(Cc3cc(C4(NC(=O)c5cc6cc(Cl)ccc6[nH]5)CC4)no3)C2)cn1
InChIInChI=1S/C33H29Cl2N7O3/c1-42-17-21(16-36-42)33(40-31(44)28-12-20-10-23(35)3-5-26(20)38-28)14-18(15-33)8-24-13-29(41-45-24)32(6-7-32)39-30(43)27-11-19-9-22(34)2-4-25(19)37-27/h2-5,9-13,16-18,37-38H,6-8,14-15H2,1H3,(H,39,43)(H,40,44)
InChIKeyHFBNKJSDZIHJIR-UHFFFAOYSA-N
MW642.55 g/mol
LogP6.37
Rot. Bonds8

About 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 137379669) has the molecular formula C33H29Cl2N7O3 and a molecular weight of 642.55 g/mol. Its IUPAC name is 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide
PubChem CID137379669
Molecular FormulaC33H29Cl2N7O3
Molecular Weight642.55 g/mol
Exact Mass641.17
IUPAC Name5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC(Cc3cc(C4(NC(=O)c5cc6cc(Cl)ccc6[nH]5)CC4)no3)C2)cn1
InChIInChI=1S/C33H29Cl2N7O3/c1-42-17-21(16-36-42)33(40-31(44)28-12-20-10-23(35)3-5-26(20)38-28)14-18(15-33)8-24-13-29(41-45-24)32(6-7-32)39-30(43)27-11-19-9-22(34)2-4-25(19)37-27/h2-5,9-13,16-18,37-38H,6-8,14-15H2,1H3,(H,39,43)(H,40,44)
InChIKeyHFBNKJSDZIHJIR-UHFFFAOYSA-N
XLogP6.37
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.55
LogP ≤ 56.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide (CID 137379669) is 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC(Cc3cc(C4(NC(=O)c5cc6cc(Cl)ccc6[nH]5)CC4)no3)C2)cn1.
What is the InChIKey of 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is HFBNKJSDZIHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N7O3/c1-42-17-21(16-36-42)33(40-31(44)28-12-20-10-23(35)3-5-26(20)38-28)14-18(15-33)8-24-13-29(41-45-24)32(6-7-32)39-30(43)27-11-19-9-22(34)2-4-25(19)37-27/h2-5,9-13,16-18,37-38H,6-8,14-15H2,1H3,(H,39,43)(H,40,44).
What are the key properties of 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 642.55 g/mol, XLogP of 6.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[5-[[3-[(5-chloro-1H-indole-2-carbonyl)amino]-3-(1-methylpyrazol-4-yl)cyclobutyl]methyl]-1,2-oxazol-3-yl]cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137379669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).