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

C23H28FN7O3 — CID 146560018

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC[C@@](C)(O)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H28FN7O3/c1-23(34)7-3-5-13(11-23)30-8-4-6-16(22(30)33)27-18-10-19(25-2)31-20(29-18)14(12-26-31)21(32)28-17-9-15(17)24/h4,6,8,10,12-13,15,17,25,34H,3,5,7,9,11H2,1-2H3,(H,27,29)(H,28,32)/t13?,15-,17+,23+/m0/s1
InChIKeyKROVDVCBZFVREK-LOMJKTMRSA-N
MW469.52 g/mol
LogP2.38
Rot. Bonds6

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

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560018) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560018
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC[C@@](C)(O)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C23H28FN7O3/c1-23(34)7-3-5-13(11-23)30-8-4-6-16(22(30)33)27-18-10-19(25-2)31-20(29-18)14(12-26-31)21(32)28-17-9-15(17)24/h4,6,8,10,12-13,15,17,25,34H,3,5,7,9,11H2,1-2H3,(H,27,29)(H,28,32)/t13?,15-,17+,23+/m0/s1
InChIKeyKROVDVCBZFVREK-LOMJKTMRSA-N
XLogP2.38
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450124
N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484562
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
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-[(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
tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146560048
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-[(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
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559146
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-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-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560018) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-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-[(3R)-3-hydroxy-3-methylcyclohexyl]-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-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCC[C@@](C)(O)C3)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-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KROVDVCBZFVREK-LOMJKTMRSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-23(34)7-3-5-13(11-23)30-8-4-6-16(22(30)33)27-18-10-19(25-2)31-20(29-18)14(12-26-31)21(32)28-17-9-15(17)24/h4,6,8,10,12-13,15,17,25,34H,3,5,7,9,11H2,1-2H3,(H,27,29)(H,28,32)/t13?,15-,17+,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).