3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

C31H33ClN8O4 — CID 58447504

IUPAC3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCn2ccc3c(C(=O)N4CCC5(CCC(NC(=O)c6nc(Cl)c(N)nc6N)=N5)CC4)cccc32)cc1
InChIInChI=1S/C31H33ClN8O4/c1-43-19-5-7-20(8-6-19)44-18-17-39-14-10-21-22(3-2-4-23(21)39)30(42)40-15-12-31(13-16-40)11-9-24(38-31)35-29(41)25-27(33)37-28(34)26(32)36-25/h2-8,10,14H,9,11-13,15-18H2,1H3,(H4,33,34,37)(H,35,38,41)
InChIKeyTZTYJDJWHMXFMV-UHFFFAOYSA-N
MW617.11 g/mol
LogP3.93
Rot. Bonds7

About 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 58447504) has the molecular formula C31H33ClN8O4 and a molecular weight of 617.11 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID58447504
Molecular FormulaC31H33ClN8O4
Molecular Weight617.11 g/mol
Exact Mass616.23
IUPAC Name3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCn2ccc3c(C(=O)N4CCC5(CCC(NC(=O)c6nc(Cl)c(N)nc6N)=N5)CC4)cccc32)cc1
InChIInChI=1S/C31H33ClN8O4/c1-43-19-5-7-20(8-6-19)44-18-17-39-14-10-21-22(3-2-4-23(21)39)30(42)40-15-12-31(13-16-40)11-9-24(38-31)35-29(41)25-27(33)37-28(34)26(32)36-25/h2-8,10,14H,9,11-13,15-18H2,1H3,(H4,33,34,37)(H,35,38,41)
InChIKeyTZTYJDJWHMXFMV-UHFFFAOYSA-N
XLogP3.93
TPSA162.98 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.11
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)benzamide
CID 16022385
N-(2,3-dimethylphenyl)-2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 16332916
N-ethyl-5-[2-methyl-8-[(2-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156022060
(2S,4R)-1-(2-(3-acetyl-5-(pyrimidin-5-ylamino)-1H-indol-1-yl)acetyl)-N-(5-(benzyloxy)pyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 118322648
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl(3-phenylpropyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49789951
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[methyl(3-phenylpropanoyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49790635
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46943791
2-[3-[5-[[5-[2-(Dimethylamino)ethoxy]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-ethyl-5-fluorophenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58043811
7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291182
3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 175842551
2-ethyl-3-[ethyl(2-phenylethylcarbamoyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 132454750
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278964

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 58447504) is 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is COc1ccc(OCCn2ccc3c(C(=O)N4CCC5(CCC(NC(=O)c6nc(Cl)c(N)nc6N)=N5)CC4)cccc32)cc1.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is TZTYJDJWHMXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O4/c1-43-19-5-7-20(8-6-19)44-18-17-39-14-10-21-22(3-2-4-23(21)39)30(42)40-15-12-31(13-16-40)11-9-24(38-31)35-29(41)25-27(33)37-28(34)26(32)36-25/h2-8,10,14H,9,11-13,15-18H2,1H3,(H4,33,34,37)(H,35,38,41).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 617.11 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[1-[2-(4-methoxyphenoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58447504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).