(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide

C32H46N10O — CID 163503185

IUPAC(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide
SMILESCC(C)C1=CNN(C)C(Nc2ccc3ncc(C(=CN)/C=N/CCCN4C[C@@H](C)N(C(=O)N(C)C)C5(CC5)C4)cc3n2)=C1
InChIInChI=1S/C32H46N10O/c1-22(2)24-15-30(40(6)36-19-24)38-29-9-8-27-28(37-29)14-25(18-35-27)26(16-33)17-34-12-7-13-41-20-23(3)42(31(43)39(4)5)32(21-41)10-11-32/h8-9,14-19,22-23,36H,7,10-13,20-21,33H2,1-6H3,(H,37,38)/b26-16?,34-17+/t23-/m1/s1
InChIKeyFYNQXQGSASFLBE-QVXSTQAXSA-N
MW586.79 g/mol
LogP3.85
Rot. Bonds9

About (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide

(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide (PubChem CID 163503185) has the molecular formula C32H46N10O and a molecular weight of 586.79 g/mol. Its IUPAC name is (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide.

Molecular Properties

Compound Name(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide
PubChem CID163503185
Molecular FormulaC32H46N10O
Molecular Weight586.79 g/mol
Exact Mass586.39
IUPAC Name(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide
SMILESCC(C)C1=CNN(C)C(Nc2ccc3ncc(C(=CN)/C=N/CCCN4C[C@@H](C)N(C(=O)N(C)C)C5(CC5)C4)cc3n2)=C1
InChIInChI=1S/C32H46N10O/c1-22(2)24-15-30(40(6)36-19-24)38-29-9-8-27-28(37-29)14-25(18-35-27)26(16-33)17-34-12-7-13-41-20-23(3)42(31(43)39(4)5)32(21-41)10-11-32/h8-9,14-19,22-23,36H,7,10-13,20-21,33H2,1-6H3,(H,37,38)/b26-16?,34-17+/t23-/m1/s1
InChIKeyFYNQXQGSASFLBE-QVXSTQAXSA-N
XLogP3.85
TPSA118.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.79
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide?
The IUPAC name of (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide (CID 163503185) is (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide.
What is the SMILES notation for (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide?
The canonical SMILES for (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide is CC(C)C1=CNN(C)C(Nc2ccc3ncc(C(=CN)/C=N/CCCN4C[C@@H](C)N(C(=O)N(C)C)C5(CC5)C4)cc3n2)=C1.
What is the InChIKey of (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide?
The InChIKey is FYNQXQGSASFLBE-QVXSTQAXSA-N. The full InChI is InChI=1S/C32H46N10O/c1-22(2)24-15-30(40(6)36-19-24)38-29-9-8-27-28(37-29)14-25(18-35-27)26(16-33)17-34-12-7-13-41-20-23(3)42(31(43)39(4)5)32(21-41)10-11-32/h8-9,14-19,22-23,36H,7,10-13,20-21,33H2,1-6H3,(H,37,38)/b26-16?,34-17+/t23-/m1/s1.
What are the key properties of (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide?
(5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide has a molecular weight of 586.79 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[3-[[3-amino-2-[6-[(2-methyl-5-propan-2-yl-1H-pyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]propyl]-N,N,5-trimethyl-4,7-diazaspiro[2.5]octane-4-carboxamide is sourced from PubChem (CID 163503185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).