N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide

C32H29ClN8O4 — CID 137379675

IUPACN-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2Cn2cc(C3(NC(=O)c4cc5cc(Cl)ccc5[nH]4)COC3)cn2)cn1
InChIInChI=1S/C32H29ClN8O4/c1-40-13-22(12-34-40)32(39-30(44)28-9-19-7-24(42)3-5-26(19)37-28)10-20(32)14-41-15-21(11-35-41)31(16-45-17-31)38-29(43)27-8-18-6-23(33)2-4-25(18)36-27/h2-9,11-13,15,20,36-37,42H,10,14,16-17H2,1H3,(H,38,43)(H,39,44)
InChIKeySHNLQBWZZRBMHK-UHFFFAOYSA-N
MW625.09 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide

N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide (PubChem CID 137379675) has the molecular formula C32H29ClN8O4 and a molecular weight of 625.09 g/mol. Its IUPAC name is N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide
PubChem CID137379675
Molecular FormulaC32H29ClN8O4
Molecular Weight625.09 g/mol
Exact Mass624.20
IUPAC NameN-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2Cn2cc(C3(NC(=O)c4cc5cc(Cl)ccc5[nH]4)COC3)cn2)cn1
InChIInChI=1S/C32H29ClN8O4/c1-40-13-22(12-34-40)32(39-30(44)28-9-19-7-24(42)3-5-26(19)37-28)10-20(32)14-41-15-21(11-35-41)31(16-45-17-31)38-29(43)27-8-18-6-23(33)2-4-25(18)36-27/h2-9,11-13,15,20,36-37,42H,10,14,16-17H2,1H3,(H,38,43)(H,39,44)
InChIKeySHNLQBWZZRBMHK-UHFFFAOYSA-N
XLogP3.94
TPSA154.88 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.09
LogP ≤ 53.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161336877
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425233
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
5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide
CID 138478890
5-hydroxy-N-[2-(1-methylpyrazol-4-yl)pentan-2-yl]-1H-indole-2-carboxamide
CID 144935963
5-chloro-1H-indole-2-carboxylic acid;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;1-methylpyrazole-4-carbonitrile;1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
CID 157901475
5-chloro-1H-indole-2-carboxylic acid;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-isocyano-1-methyl-3-propan-2-ylpyrazole;1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropan-1-amine
CID 158560894
5-chloro-N-[1-(1-ethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 160612296
5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-1H-indole-2-carboxylic acid;3-ethyl-4-isocyano-1-methylpyrazole;1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
CID 161152947
5-chloro-1H-indole-2-carboxylic acid;5-chloro-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;cis-(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine;4-isocyano-1-methylpyrazole;trans-(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropan-1-amine
CID 161721105

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide (CID 137379675) is N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2Cn2cc(C3(NC(=O)c4cc5cc(Cl)ccc5[nH]4)COC3)cn2)cn1.
What is the InChIKey of N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide?
The InChIKey is SHNLQBWZZRBMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN8O4/c1-40-13-22(12-34-40)32(39-30(44)28-9-19-7-24(42)3-5-26(19)37-28)10-20(32)14-41-15-21(11-35-41)31(16-45-17-31)38-29(43)27-8-18-6-23(33)2-4-25(18)36-27/h2-9,11-13,15,20,36-37,42H,10,14,16-17H2,1H3,(H,38,43)(H,39,44).
What are the key properties of N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide?
N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide has a molecular weight of 625.09 g/mol, XLogP of 3.94, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-[(5-chloro-1H-indole-2-carbonyl)amino]oxetan-3-yl]pyrazol-1-yl]methyl]-1-(1-methylpyrazol-4-yl)cyclopropyl]-5-hydroxy-1H-indole-2-carboxamide is sourced from PubChem (CID 137379675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).