(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C29H27N7O — CID 154929808

IUPAC(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1
InChIInChI=1S/C29H27N7O/c30-22-13-11-21(12-14-22)28(37)35-17-6-9-23(19-35)32-29-31-16-15-24(33-29)26-25-10-4-5-18-36(25)34-27(26)20-7-2-1-3-8-20/h1-5,7-8,10-16,18,23H,6,9,17,19,30H2,(H,31,32,33)
InChIKeyKRSORDSWIDEGEY-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.76
Rot. Bonds5

About (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 154929808) has the molecular formula C29H27N7O and a molecular weight of 489.58 g/mol. Its IUPAC name is (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID154929808
Molecular FormulaC29H27N7O
Molecular Weight489.58 g/mol
Exact Mass489.23
IUPAC Name(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCCC(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1
InChIInChI=1S/C29H27N7O/c30-22-13-11-21(12-14-22)28(37)35-17-6-9-23(19-35)32-29-31-16-15-24(33-29)26-25-10-4-5-18-36(25)34-27(26)20-7-2-1-3-8-20/h1-5,7-8,10-16,18,23H,6,9,17,19,30H2,(H,31,32,33)
InChIKeyKRSORDSWIDEGEY-UHFFFAOYSA-N
XLogP4.76
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 147941118
ethyl 4-[2-[[(3R)-1-(1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-3-phenyl-1,2-oxazole-5-carboxylate
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3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride
CID 131726109
3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 10112596
3-(2-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 15158143
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
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CID 68726312
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[(3R)-3-[[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 162649628
(4-aminophenyl)-[4-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
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3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719
[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 154929808) is (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCCC(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1.
What is the InChIKey of (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is KRSORDSWIDEGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O/c30-22-13-11-21(12-14-22)28(37)35-17-6-9-23(19-35)32-29-31-16-15-24(33-29)26-25-10-4-5-18-36(25)34-27(26)20-7-2-1-3-8-20/h1-5,7-8,10-16,18,23H,6,9,17,19,30H2,(H,31,32,33).
What are the key properties of (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
(4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 489.58 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[3-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 154929808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).