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

C23H29N7O3 — CID 166630118

IUPACN-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H29N7O3/c1-32-20-13-17(29-9-11-33-12-10-29)4-5-19(20)27-23(31)18-15-25-30-8-6-21(28-22(18)30)26-16-3-2-7-24-14-16/h4-6,8,13,15-16,24H,2-3,7,9-12,14H2,1H3,(H,26,28)(H,27,31)/t16-/m1/s1
InChIKeyQQYKHVOASFQYMI-MRXNPFEDSA-N
MW451.53 g/mol
LogP1.99
Rot. Bonds6

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

N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166630118) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166630118
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H29N7O3/c1-32-20-13-17(29-9-11-33-12-10-29)4-5-19(20)27-23(31)18-15-25-30-8-6-21(28-22(18)30)26-16-3-2-7-24-14-16/h4-6,8,13,15-16,24H,2-3,7,9-12,14H2,1H3,(H,26,28)(H,27,31)/t16-/m1/s1
InChIKeyQQYKHVOASFQYMI-MRXNPFEDSA-N
XLogP1.99
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.99
H-Bond Donors ≤ 53
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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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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6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166630118) is N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QQYKHVOASFQYMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-32-20-13-17(29-9-11-33-12-10-29)4-5-19(20)27-23(31)18-15-25-30-8-6-21(28-22(18)30)26-16-3-2-7-24-14-16/h4-6,8,13,15-16,24H,2-3,7,9-12,14H2,1H3,(H,26,28)(H,27,31)/t16-/m1/s1.
What are the key properties of N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166630118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).