2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

C25H26N8O — CID 138588324

IUPAC2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCC6(CC5)CNC6)c4)nc3c2)cn1
InChIInChI=1S/C25H26N8O/c1-32-14-20(13-29-32)17-2-3-19-12-28-24(30-21(19)10-17)31-23(34)18-4-7-27-22(11-18)33-8-5-25(6-9-33)15-26-16-25/h2-4,7,10-14,26H,5-6,8-9,15-16H2,1H3,(H,28,30,31,34)
InChIKeyUSNFFVUWKXMILV-UHFFFAOYSA-N
MW454.54 g/mol
LogP2.87
Rot. Bonds4

About 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (PubChem CID 138588324) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
PubChem CID138588324
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Name2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCC6(CC5)CNC6)c4)nc3c2)cn1
InChIInChI=1S/C25H26N8O/c1-32-14-20(13-29-32)17-2-3-19-12-28-24(30-21(19)10-17)31-23(34)18-4-7-27-22(11-18)33-8-5-25(6-9-33)15-26-16-25/h2-4,7,10-14,26H,5-6,8-9,15-16H2,1H3,(H,28,30,31,34)
InChIKeyUSNFFVUWKXMILV-UHFFFAOYSA-N
XLogP2.87
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588309
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-piperidin-4-yloxypyridine-4-carboxamide
CID 138587595
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589294
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methyltriazol-4-yl)naphthalen-2-yl]pyridine-4-carboxamide
CID 134575921

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (CID 138588324) is 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCC6(CC5)CNC6)c4)nc3c2)cn1.
What is the InChIKey of 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The InChIKey is USNFFVUWKXMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-32-14-20(13-29-32)17-2-3-19-12-28-24(30-21(19)10-17)31-23(34)18-4-7-27-22(11-18)33-8-5-25(6-9-33)15-26-16-25/h2-4,7,10-14,26H,5-6,8-9,15-16H2,1H3,(H,28,30,31,34).
What are the key properties of 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide has a molecular weight of 454.54 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).