5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

C26H26N8O — CID 175882942

IUPAC5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCC#CCN1CCCC(c2nc(-c3ccc(C(=O)Nc4ccccn4)nc3)n3c(N)nccc23)C1
InChIInChI=1S/C26H26N8O/c1-2-3-14-33-15-6-7-19(17-33)23-21-11-13-29-26(27)34(21)24(32-23)18-9-10-20(30-16-18)25(35)31-22-8-4-5-12-28-22/h4-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H2,27,29)(H,28,31,35)
InChIKeyPDPOZILJFAXDDR-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.22
Rot. Bonds5

About 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 175882942) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID175882942
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCC#CCN1CCCC(c2nc(-c3ccc(C(=O)Nc4ccccn4)nc3)n3c(N)nccc23)C1
InChIInChI=1S/C26H26N8O/c1-2-3-14-33-15-6-7-19(17-33)23-21-11-13-29-26(27)34(21)24(32-23)18-9-10-20(30-16-18)25(35)31-22-8-4-5-12-28-22/h4-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H2,27,29)(H,28,31,35)
InChIKeyPDPOZILJFAXDDR-UHFFFAOYSA-N
XLogP3.22
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 175882920
5-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 134265100
4-[5-amino-1-(1-but-2-ynylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-(4-cyano-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 175882814
2-[4-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-3-fluorophenoxy]pyridine-4-carboxylic acid
CID 175882926
6-[5-amino-1-(1-but-2-ynoylpyrrolidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-(4-cyano-2-pyridinyl)pyridine-3-carboxamide
CID 134264510
1-[3-[5-amino-3-(3-methoxy-4-pyridin-2-yloxyphenyl)imidazo[1,5-c]pyrimidin-1-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 134264680
4-[5-amino-1-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-2-chloro-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 134264876
6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341
6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 95817678
4-[5-amino-1-(1-but-2-ynoylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-(4-cyano-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 134265474
6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110090926
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (CID 175882942) is 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is CC#CCN1CCCC(c2nc(-c3ccc(C(=O)Nc4ccccn4)nc3)n3c(N)nccc23)C1.
What is the InChIKey of 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is PDPOZILJFAXDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-2-3-14-33-15-6-7-19(17-33)23-21-11-13-29-26(27)34(21)24(32-23)18-9-10-20(30-16-18)25(35)31-22-8-4-5-12-28-22/h4-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H2,27,29)(H,28,31,35).
What are the key properties of 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-1-(1-but-2-ynylpiperidin-3-yl)imidazo[1,5-c]pyrimidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 175882942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).