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

C44H54N14O8 — CID 158343366

IUPACN-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/2C22H27N7O4/c2*1-23-19-10-18(25-14-4-3-9-28(22(14)32)15-6-8-17(15)33-2)27-20-12(11-24-29(19)20)21(31)26-13-5-7-16(13)30/h2*3-4,9-11,13,15-17,23,30H,5-8H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,16-,17+;13-,15-,16-,17-/m01/s1
InChIKeyGRKSTAVSQPEUTE-JSHVPEMMSA-N
MW907.01 g/mol
LogP2.56
Rot. Bonds14

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

N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158343366) has the molecular formula C44H54N14O8 and a molecular weight of 907.01 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158343366
Molecular FormulaC44H54N14O8
Molecular Weight907.01 g/mol
Exact Mass906.42
IUPAC NameN-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/2C22H27N7O4/c2*1-23-19-10-18(25-14-4-3-9-28(22(14)32)15-6-8-17(15)33-2)27-20-12(11-24-29(19)20)21(31)26-13-5-7-16(13)30/h2*3-4,9-11,13,15-17,23,30H,5-8H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,16-,17+;13-,15-,16-,17-/m01/s1
InChIKeyGRKSTAVSQPEUTE-JSHVPEMMSA-N
XLogP2.56
TPSA269.62 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.01
LogP ≤ 52.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]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
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-[(1R,2R)-2-methoxycyclobutyl]-5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139425619
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-[(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
5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441435
5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441562
5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449236

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158343366) is N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn([C@@H]3CC[C@H]3OC)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GRKSTAVSQPEUTE-JSHVPEMMSA-N. The full InChI is InChI=1S/2C22H27N7O4/c2*1-23-19-10-18(25-14-4-3-9-28(22(14)32)15-6-8-17(15)33-2)27-20-12(11-24-29(19)20)21(31)26-13-5-7-16(13)30/h2*3-4,9-11,13,15-17,23,30H,5-8H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,16-,17+;13-,15-,16-,17-/m01/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 907.01 g/mol, XLogP of 2.56, 14 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(1R,2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158343366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).