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

C22H24FN7O3 — CID 146560356

IUPACN-[(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
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC[C@H]3F)cnn12
InChIInChI=1S/C22H24FN7O3/c1-24-18-7-17(26-16-3-2-6-29(22(16)32)19-12-9-33-10-13(12)19)28-20-11(8-25-30(18)20)21(31)27-15-5-4-14(15)23/h2-3,6-8,12-15,19,24H,4-5,9-10H2,1H3,(H,26,28)(H,27,31)/t12-,13+,14-,15?,19?/m1/s1
InChIKeyOCBMHNMSBKFJKA-HJFGXFTPSA-N
MW453.48 g/mol
LogP1.72
Rot. Bonds6

About 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

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 (PubChem CID 146560356) has the molecular formula C22H24FN7O3 and a molecular weight of 453.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID146560356
Molecular FormulaC22H24FN7O3
Molecular Weight453.48 g/mol
Exact Mass453.19
IUPAC NameN-[(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
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC[C@H]3F)cnn12
InChIInChI=1S/C22H24FN7O3/c1-24-18-7-17(26-16-3-2-6-29(22(16)32)19-12-9-33-10-13(12)19)28-20-11(8-25-30(18)20)21(31)27-15-5-4-14(15)23/h2-3,6-8,12-15,19,24H,4-5,9-10H2,1H3,(H,26,28)(H,27,31)/t12-,13+,14-,15?,19?/m1/s1
InChIKeyOCBMHNMSBKFJKA-HJFGXFTPSA-N
XLogP1.72
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-[(1S,2R)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560721
N-[(1S,2S)-2-fluorocyclobutyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559874
N-[(2R)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559152
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
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-[(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-[(2S)-2-fluorocyclobutyl]-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560381
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559156
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450055

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)NC3CC[C@H]3F)cnn12.
What is the InChIKey of 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?
The InChIKey is OCBMHNMSBKFJKA-HJFGXFTPSA-N. The full InChI is InChI=1S/C22H24FN7O3/c1-24-18-7-17(26-16-3-2-6-29(22(16)32)19-12-9-33-10-13(12)19)28-20-11(8-25-30(18)20)21(31)27-15-5-4-14(15)23/h2-3,6-8,12-15,19,24H,4-5,9-10H2,1H3,(H,26,28)(H,27,31)/t12-,13+,14-,15?,19?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 453.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146560356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).