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

C46H54F4N14O6 — CID 158552179

IUPAC5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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@@H](O)C3)cnn12.CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@H](O)C3)cnn12
InChIInChI=1S/2C23H27F2N7O3/c2*1-26-19-9-18(29-17-6-3-7-31(22(17)35)14-10-23(24,25)11-14)30-20-16(12-27-32(19)20)21(34)28-13-4-2-5-15(33)8-13/h2*3,6-7,9,12-15,26,33H,2,4-5,8,10-11H2,1H3,(H,28,34)(H,29,30)/t2*13-,15-/m10/s1
InChIKeyHPVXGOGLVPBANP-ZFESANGQSA-N
MW975.02 g/mol
LogP5.36
Rot. Bonds12

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

5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158552179) has the molecular formula C46H54F4N14O6 and a molecular weight of 975.02 g/mol. Its IUPAC name is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158552179
Molecular FormulaC46H54F4N14O6
Molecular Weight975.02 g/mol
Exact Mass974.43
IUPAC Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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@@H](O)C3)cnn12.CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@H](O)C3)cnn12
InChIInChI=1S/2C23H27F2N7O3/c2*1-26-19-9-18(29-17-6-3-7-31(22(17)35)14-10-23(24,25)11-14)30-20-16(12-27-32(19)20)21(34)28-13-4-2-5-15(33)8-13/h2*3,6-7,9,12-15,26,33H,2,4-5,8,10-11H2,1H3,(H,28,34)(H,29,30)/t2*13-,15-/m10/s1
InChIKeyHPVXGOGLVPBANP-ZFESANGQSA-N
XLogP5.36
TPSA251.16 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500975.02
LogP ≤ 55.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

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

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Related Compounds

5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450105
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449732
5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1R,3S)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449828
5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450103
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450219
5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1S,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484505
5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484516
5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484645
5-[[1-(3,3-difluorocyclobutyl)-2-oxopyridin-3-yl]amino]-N-[(1S,3S)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484660
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560169
N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1S,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560170
N-[(1S,2S)-2-fluorocyclobutyl]-5-[[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560359

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158552179) is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-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@@H](O)C3)cnn12.CNc1cc(Nc2cccn(C3CC(F)(F)C3)c2=O)nc2c(C(=O)N[C@H]3CCC[C@H](O)C3)cnn12.
What is the InChIKey of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HPVXGOGLVPBANP-ZFESANGQSA-N. The full InChI is InChI=1S/2C23H27F2N7O3/c2*1-26-19-9-18(29-17-6-3-7-31(22(17)35)14-10-23(24,25)11-14)30-20-16(12-27-32(19)20)21(34)28-13-4-2-5-15(33)8-13/h2*3,6-7,9,12-15,26,33H,2,4-5,8,10-11H2,1H3,(H,28,34)(H,29,30)/t2*13-,15-/m10/s1.
What are the key properties of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,3S)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 975.02 g/mol, XLogP of 5.36, 12 rotatable bonds, 8 hydrogen bond donors, and 18 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-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158552179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).