5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N7O3 — CID 166626908

IUPAC5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12
InChIInChI=1S/C23H29N7O3/c1-32-20-13-17(28-9-11-33-12-10-28)4-5-19(20)26-23(31)18-14-25-30-8-6-21(27-22(18)30)29-7-2-3-16(24)15-29/h4-6,8,13-14,16H,2-3,7,9-12,15,24H2,1H3,(H,26,31)/t16-/m1/s1
InChIKeyHHGLJCCPVZFSLY-MRXNPFEDSA-N
MW451.53 g/mol
LogP1.75
Rot. Bonds5

About 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166626908) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166626908
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12
InChIInChI=1S/C23H29N7O3/c1-32-20-13-17(28-9-11-33-12-10-28)4-5-19(20)26-23(31)18-14-25-30-8-6-21(27-22(18)30)29-7-2-3-16(24)15-29/h4-6,8,13-14,16H,2-3,7,9-12,15,24H2,1H3,(H,26,31)/t16-/m1/s1
InChIKeyHHGLJCCPVZFSLY-MRXNPFEDSA-N
XLogP1.75
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-6-amine
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N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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US10774086, Example 24
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3-chloro-7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
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7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
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N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166626908) is 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N3CCC[C@@H](N)C3)nc12.
What is the InChIKey of 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HHGLJCCPVZFSLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-32-20-13-17(28-9-11-33-12-10-28)4-5-19(20)26-23(31)18-14-25-30-8-6-21(27-22(18)30)29-7-2-3-16(24)15-29/h4-6,8,13-14,16H,2-3,7,9-12,15,24H2,1H3,(H,26,31)/t16-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166626908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).