5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29F2N7O3 — CID 146484516

IUPAC5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@](C)(O)C3)cnn12
InChIInChI=1S/C24H29F2N7O3/c1-23(36)7-3-5-14(10-23)29-21(34)16-13-28-33-19(27-2)9-18(31-20(16)33)30-17-6-4-8-32(22(17)35)15-11-24(25,26)12-15/h4,6,8-9,13-15,27,36H,3,5,7,10-12H2,1-2H3,(H,29,34)(H,30,31)/t14-,23-/m0/s1
InChIKeyFYTWXSZGAHDDKC-PSLXWICFSA-N
MW501.54 g/mol
LogP3.07
Rot. Bonds6

About 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146484516) has the molecular formula C24H29F2N7O3 and a molecular weight of 501.54 g/mol. Its IUPAC name is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146484516
Molecular FormulaC24H29F2N7O3
Molecular Weight501.54 g/mol
Exact Mass501.23
IUPAC Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@](C)(O)C3)cnn12
InChIInChI=1S/C24H29F2N7O3/c1-23(36)7-3-5-14(10-23)29-21(34)16-13-28-33-19(27-2)9-18(31-20(16)33)30-17-6-4-8-32(22(17)35)15-11-24(25,26)12-15/h4,6,8-9,13-15,27,36H,3,5,7,10-12H2,1-2H3,(H,29,34)(H,30,31)/t14-,23-/m0/s1
InChIKeyFYTWXSZGAHDDKC-PSLXWICFSA-N
XLogP3.07
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146484516) is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@](C)(O)C3)cnn12.
What is the InChIKey of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FYTWXSZGAHDDKC-PSLXWICFSA-N. The full InChI is InChI=1S/C24H29F2N7O3/c1-23(36)7-3-5-14(10-23)29-21(34)16-13-28-33-19(27-2)9-18(31-20(16)33)30-17-6-4-8-32(22(17)35)15-11-24(25,26)12-15/h4,6,8-9,13-15,27,36H,3,5,7,10-12H2,1-2H3,(H,29,34)(H,30,31)/t14-,23-/m0/s1.
What are the key properties of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 3.07, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146484516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).