N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27F2N7O3 — CID 146560161

IUPACN-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(NC2=CC=CN(C3CC(OC)C3)C2O)nc2c(C(=O)NC3CCC3(F)F)cnn12
InChIInChI=1S/C22H27F2N7O3/c1-25-18-10-17(27-15-4-3-7-30(21(15)33)12-8-13(9-12)34-2)29-19-14(11-26-31(18)19)20(32)28-16-5-6-22(16,23)24/h3-4,7,10-13,16,21,25,33H,5-6,8-9H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyNEDLZNHVLLZVQW-UHFFFAOYSA-N
MW475.50 g/mol
LogP1.92
Rot. Bonds7

About N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560161) has the molecular formula C22H27F2N7O3 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560161
Molecular FormulaC22H27F2N7O3
Molecular Weight475.50 g/mol
Exact Mass475.21
IUPAC NameN-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(NC2=CC=CN(C3CC(OC)C3)C2O)nc2c(C(=O)NC3CCC3(F)F)cnn12
InChIInChI=1S/C22H27F2N7O3/c1-25-18-10-17(27-15-4-3-7-30(21(15)33)12-8-13(9-12)34-2)29-19-14(11-26-31(18)19)20(32)28-16-5-6-22(16,23)24/h3-4,7,10-13,16,21,25,33H,5-6,8-9H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyNEDLZNHVLLZVQW-UHFFFAOYSA-N
XLogP1.92
TPSA116.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441491
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449271
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449741
5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449801
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-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450263
N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560353
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560351
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441399
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441414
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441426
5-[[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441429

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560161) is N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(NC2=CC=CN(C3CC(OC)C3)C2O)nc2c(C(=O)NC3CCC3(F)F)cnn12.
What is the InChIKey of N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NEDLZNHVLLZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N7O3/c1-25-18-10-17(27-15-4-3-7-30(21(15)33)12-8-13(9-12)34-2)29-19-14(11-26-31(18)19)20(32)28-16-5-6-22(16,23)24/h3-4,7,10-13,16,21,25,33H,5-6,8-9H2,1-2H3,(H,27,29)(H,28,32).
What are the key properties of N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclobutyl)-5-[[2-hydroxy-1-(3-methoxycyclobutyl)-2H-pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).