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

C22H26FN7O3 — CID 137449388

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@H]3OC)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C22H26FN7O3/c1-24-19-10-18(28-20-12(11-25-30(19)20)21(31)27-15-9-13(15)23)26-14-5-4-8-29(22(14)32)16-6-3-7-17(16)33-2/h4-5,8,10-11,13,15-17,24H,3,6-7,9H2,1-2H3,(H,26,28)(H,27,31)/t13-,15+,16+,17+/m0/s1
InChIKeyRUZIQTNXUMLKQD-RKTXRCNFSA-N
MW455.49 g/mol
LogP2.26
Rot. Bonds7

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

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449388) has the molecular formula C22H26FN7O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449388
Molecular FormulaC22H26FN7O3
Molecular Weight455.49 g/mol
Exact Mass455.21
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@H]3OC)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C22H26FN7O3/c1-24-19-10-18(28-20-12(11-25-30(19)20)21(31)27-15-9-13(15)23)26-14-5-4-8-29(22(14)32)16-6-3-7-17(16)33-2/h4-5,8,10-11,13,15-17,24H,3,6-7,9H2,1-2H3,(H,26,28)(H,27,31)/t13-,15+,16+,17+/m0/s1
InChIKeyRUZIQTNXUMLKQD-RKTXRCNFSA-N
XLogP2.26
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559137
N-[(2R)-2-methoxycyclobutyl]-5-[[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449835
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-[(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
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
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146407146
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484558
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383473
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450000
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3S)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450177

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449388) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCC[C@H]3OC)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RUZIQTNXUMLKQD-RKTXRCNFSA-N. The full InChI is InChI=1S/C22H26FN7O3/c1-24-19-10-18(28-20-12(11-25-30(19)20)21(31)27-15-9-13(15)23)26-14-5-4-8-29(22(14)32)16-6-3-7-17(16)33-2/h4-5,8,10-11,13,15-17,24H,3,6-7,9H2,1-2H3,(H,26,28)(H,27,31)/t13-,15+,16+,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).