2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

C21H23ClN10O2 — CID 87343284

IUPAC2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Nc4ccc5[nH]ccc5c4)CC3)N2)nc1Cl
InChIInChI=1S/C21H23ClN10O2/c22-15-17(24)29-16(23)14(28-15)18(33)30-19-26-10-21(31-19)4-7-32(8-5-21)20(34)27-12-1-2-13-11(9-12)3-6-25-13/h1-3,6,9,25H,4-5,7-8,10H2,(H,27,34)(H4,23,24,29)(H2,26,30,31,33)
InChIKeyUMDSNXXHYYOWSX-UHFFFAOYSA-N
MW482.94 g/mol
LogP1.53
Rot. Bonds2

About 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 87343284) has the molecular formula C21H23ClN10O2 and a molecular weight of 482.94 g/mol. Its IUPAC name is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound Name2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID87343284
Molecular FormulaC21H23ClN10O2
Molecular Weight482.94 g/mol
Exact Mass482.17
IUPAC Name2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Nc4ccc5[nH]ccc5c4)CC3)N2)nc1Cl
InChIInChI=1S/C21H23ClN10O2/c22-15-17(24)29-16(23)14(28-15)18(33)30-19-26-10-21(31-19)4-7-32(8-5-21)20(34)27-12-1-2-13-11(9-12)3-6-25-13/h1-3,6,9,25H,4-5,7-8,10H2,(H,27,34)(H4,23,24,29)(H2,26,30,31,33)
InChIKeyUMDSNXXHYYOWSX-UHFFFAOYSA-N
XLogP1.53
TPSA179.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 51.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (CID 87343284) is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Nc4ccc5[nH]ccc5c4)CC3)N2)nc1Cl.
What is the InChIKey of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is UMDSNXXHYYOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN10O2/c22-15-17(24)29-16(23)14(28-15)18(33)30-19-26-10-21(31-19)4-7-32(8-5-21)20(34)27-12-1-2-13-11(9-12)3-6-25-13/h1-3,6,9,25H,4-5,7-8,10H2,(H,27,34)(H4,23,24,29)(H2,26,30,31,33).
What are the key properties of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 482.94 g/mol, XLogP of 1.53, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(1H-indol-5-yl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 87343284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).