5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide

C29H26Cl2N6O2 — CID 123702610

IUPAC5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide
SMILESCC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C29H26Cl2N6O2/c1-28(35-26(38)24-10-16-8-20(30)2-4-22(16)33-24)12-18(28)14-37-15-19(13-32-37)29(6-7-29)36-27(39)25-11-17-9-21(31)3-5-23(17)34-25/h2-5,8-11,13,15,18,33-34H,6-7,12,14H2,1H3,(H,35,38)(H,36,39)
InChIKeyMQUBKNWRYNLPFP-UHFFFAOYSA-N
MW561.47 g/mol
LogP5.78
Rot. Bonds7

About 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide (PubChem CID 123702610) has the molecular formula C29H26Cl2N6O2 and a molecular weight of 561.47 g/mol. Its IUPAC name is 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide
PubChem CID123702610
Molecular FormulaC29H26Cl2N6O2
Molecular Weight561.47 g/mol
Exact Mass560.15
IUPAC Name5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide
SMILESCC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C29H26Cl2N6O2/c1-28(35-26(38)24-10-16-8-20(30)2-4-22(16)33-24)12-18(28)14-37-15-19(13-32-37)29(6-7-29)36-27(39)25-11-17-9-21(31)3-5-23(17)34-25/h2-5,8-11,13,15,18,33-34H,6-7,12,14H2,1H3,(H,35,38)(H,36,39)
InChIKeyMQUBKNWRYNLPFP-UHFFFAOYSA-N
XLogP5.78
TPSA107.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.47
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((R)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523941
N-((S)-Carbamoyl(phenyl)methyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523947
4-(3-chlorophenyl)-3-[5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]-1H-pyrazole
CID 135523954
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523960
(5-chloro-1H-indol-2-yl)-[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]methanone
CID 71817336
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949
2-tert-butyl-1'-(3-chloro-1H-indole-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967950
5-chloro-3-[methoxy-(3-pyrazol-1-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
CID 57681376
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide (CID 123702610) is 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide is CC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1.
What is the InChIKey of 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is MQUBKNWRYNLPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N6O2/c1-28(35-26(38)24-10-16-8-20(30)2-4-22(16)33-24)12-18(28)14-37-15-19(13-32-37)29(6-7-29)36-27(39)25-11-17-9-21(31)3-5-23(17)34-25/h2-5,8-11,13,15,18,33-34H,6-7,12,14H2,1H3,(H,35,38)(H,36,39).
What are the key properties of 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 561.47 g/mol, XLogP of 5.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]methyl]-1-methylcyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 123702610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).