N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F2N7O3 — CID 146569487

IUPACN-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12
InChIInChI=1S/C22H23F2N7O3/c1-25-17-7-16(27-14-3-2-6-30(21(14)33)18-12-9-34-10-13(12)18)29-19-11(8-26-31(17)19)20(32)28-15-4-5-22(15,23)24/h2-3,6-8,12-13,15,18,25H,4-5,9-10H2,1H3,(H,27,29)(H,28,32)/t12-,13+,15-,18?/m0/s1
InChIKeyILZOFFVIIMOWFK-OKZNRKQUSA-N
MW471.47 g/mol
LogP2.02
Rot. Bonds6

About N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146569487) has the molecular formula C22H23F2N7O3 and a molecular weight of 471.47 g/mol. Its IUPAC name is N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146569487
Molecular FormulaC22H23F2N7O3
Molecular Weight471.47 g/mol
Exact Mass471.18
IUPAC NameN-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12
InChIInChI=1S/C22H23F2N7O3/c1-25-17-7-16(27-14-3-2-6-30(21(14)33)18-12-9-34-10-13(12)18)29-19-11(8-26-31(17)19)20(32)28-15-4-5-22(15,23)24/h2-3,6-8,12-13,15,18,25H,4-5,9-10H2,1H3,(H,27,29)(H,28,32)/t12-,13+,15-,18?/m0/s1
InChIKeyILZOFFVIIMOWFK-OKZNRKQUSA-N
XLogP2.02
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560356
N-(2-methoxycyclopropyl)-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484592
N-[(2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569465
N-[(1R,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486168
5-[[1-[(1S,3R)-3-cyanocyclohexyl]-2-oxo-3-pyridinyl]amino]-N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146570223
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560135
N-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450161
5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383443
5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486334
N-cyclopropyl-5-[[1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449214
N-[(1R,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572507
N-cyclopropyl-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523504

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146569487) is N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)N[C@H]3CCC3(F)F)cnn12.
What is the InChIKey of N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ILZOFFVIIMOWFK-OKZNRKQUSA-N. The full InChI is InChI=1S/C22H23F2N7O3/c1-25-17-7-16(27-14-3-2-6-30(21(14)33)18-12-9-34-10-13(12)18)29-19-11(8-26-31(17)19)20(32)28-15-4-5-22(15,23)24/h2-3,6-8,12-13,15,18,25H,4-5,9-10H2,1H3,(H,27,29)(H,28,32)/t12-,13+,15-,18?/m0/s1.
What are the key properties of N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146569487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).