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

C30H31ClN8O3 — CID 58447376

IUPAC3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl
InChIInChI=1S/C30H31ClN8O3/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19/h1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40)
InChIKeyQIXXTUDUXZTFFG-UHFFFAOYSA-N
MW587.08 g/mol
LogP3.93
Rot. Bonds6

About 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)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-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 58447376) has the molecular formula C30H31ClN8O3 and a molecular weight of 587.08 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)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-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID58447376
Molecular FormulaC30H31ClN8O3
Molecular Weight587.08 g/mol
Exact Mass586.22
IUPAC Name3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl
InChIInChI=1S/C30H31ClN8O3/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19/h1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40)
InChIKeyQIXXTUDUXZTFFG-UHFFFAOYSA-N
XLogP3.93
TPSA153.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.08
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

[4-(3-ethoxy-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 468309
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
1H-indol-2-yl-[4-[(3-isopropoxy-2-pyridyl)-methyl-amino]-1-piperidyl]methanone
CID 468317
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
1-[7-(3-Isopropyl-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-morpholin-4-yl-methanone
CID 45487736
N-ethyl-5-[2-methyl-8-[(2-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156022060
N-[4-fluoro-3-(2-morpholin-4-ylfuro[2,3-b]pyrazin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 168271535
N-[4-(4-furo[3,2-c]pyridin-4-ylpiperazine-1-carbonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509633
(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-phenoxy-1-(pyridin-2-yl)-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 52946933
[4-(3-benzyloxy-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 468311

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)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-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 58447376) is 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)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-phenoxyethyl)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-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCOc2ccccc2)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is QIXXTUDUXZTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN8O3/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-11-30(37-23)12-15-39(16-13-30)29(41)21-7-4-8-22-20(21)10-14-38(22)17-18-42-19-5-2-1-3-6-19/h1-8,10,14H,9,11-13,15-18H2,(H4,32,33,36)(H,34,37,40).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)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-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 587.08 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58447376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).