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

C23H24ClN7O2 — CID 58447509

IUPAC3,5-diamino-6-chloro-N-[8-(1H-indene-5-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)c2ccc4c(c2)C=CC4)CC3)nc1Cl
InChIInChI=1S/C23H24ClN7O2/c24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15/h1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32)
InChIKeyOEBZCVREGKFHCN-UHFFFAOYSA-N
MW465.95 g/mol
LogP2.46
Rot. Bonds2

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

3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 58447509) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID58447509
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name3,5-diamino-6-chloro-N-[8-(1H-indene-5-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)c2ccc4c(c2)C=CC4)CC3)nc1Cl
InChIInChI=1S/C23H24ClN7O2/c24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15/h1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32)
InChIKeyOEBZCVREGKFHCN-UHFFFAOYSA-N
XLogP2.46
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[(2-phenylacetyl)amino]butyl]azanium bromide
CID 57398531
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[(4-methylbenzoyl)amino]butyl]azanium bromide
CID 57402000
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[[2-(4-methylphenyl)acetyl]amino]butyl]azanium bromide
CID 57402001
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[3-(4-methylphenyl)propanoylamino]butyl]azanium bromide
CID 57403750
4-Benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium bromide
CID 57396762
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[(2-phenylacetyl)amino]butyl]azanium
CID 44547545
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[(4-methylbenzoyl)amino]butyl]azanium
CID 44547546
4-Benzamidobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 44547548
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[[2-(4-methylphenyl)acetyl]amino]butyl]azanium
CID 57402002
2-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[4-[3-(4-methylphenyl)propanoylamino]butyl]azanium
CID 57403751
3,5-diamino-6-chloro-N-[8-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 58447500
3,5-Diamino-6-chloro-pyrazine-2-carboxylic acid [8-[1-(3,4-difluoro-benzyl)-6-oxo-1,6-dihydro-pyridine-3-carbonyl]-1,3,8-triaza-spiro[4.5]dec-(2e)-ylidene]-amide
CID 58447521

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-(1H-indene-5-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-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 58447509) is 3,5-diamino-6-chloro-N-[8-(1H-indene-5-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-(1H-indene-5-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-(1H-indene-5-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)c2ccc4c(c2)C=CC4)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is OEBZCVREGKFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15/h1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32).
What are the key properties of 3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 465.95 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58447509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).