2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

C32H39N9O — CID 138590697

IUPAC2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
SMILESCN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCCCC5)cnc4cn3)ccn1)C2
InChIInChI=1S/C32H39N9O/c1-38-12-7-32(8-13-38)21-41(22-32)30-16-23(6-9-33-30)31(42)37-29-15-24-14-25(17-34-27(24)19-35-29)26-18-36-39(2)28(26)20-40-10-4-3-5-11-40/h6,9,14-19H,3-5,7-8,10-13,20-22H2,1-2H3,(H,35,37,42)
InChIKeyORBGAYJLDUBVKM-UHFFFAOYSA-N
MW565.73 g/mol
LogP4.20
Rot. Bonds6

About 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (PubChem CID 138590697) has the molecular formula C32H39N9O and a molecular weight of 565.73 g/mol. Its IUPAC name is 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
PubChem CID138590697
Molecular FormulaC32H39N9O
Molecular Weight565.73 g/mol
Exact Mass565.33
IUPAC Name2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
SMILESCN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCCCC5)cnc4cn3)ccn1)C2
InChIInChI=1S/C32H39N9O/c1-38-12-7-32(8-13-38)21-41(22-32)30-16-23(6-9-33-30)31(42)37-29-15-24-14-25(17-34-27(24)19-35-29)26-18-36-39(2)28(26)20-40-10-4-3-5-11-40/h6,9,14-19H,3-5,7-8,10-13,20-22H2,1-2H3,(H,35,37,42)
InChIKeyORBGAYJLDUBVKM-UHFFFAOYSA-N
XLogP4.20
TPSA95.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (CID 138590697) is 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is CN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnn(C)c5CN5CCCCC5)cnc4cn3)ccn1)C2.
What is the InChIKey of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The InChIKey is ORBGAYJLDUBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N9O/c1-38-12-7-32(8-13-38)21-41(22-32)30-16-23(6-9-33-30)31(42)37-29-15-24-14-25(17-34-27(24)19-35-29)26-18-36-39(2)28(26)20-40-10-4-3-5-11-40/h6,9,14-19H,3-5,7-8,10-13,20-22H2,1-2H3,(H,35,37,42).
What are the key properties of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide has a molecular weight of 565.73 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138590697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).