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

C21H24FN7O3 — CID 137450209

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@@H]3O)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H24FN7O3/c1-23-18-9-17(25-13-4-3-7-28(21(13)32)15-5-2-6-16(15)30)27-19-11(10-24-29(18)19)20(31)26-14-8-12(14)22/h3-4,7,9-10,12,14-16,23,30H,2,5-6,8H2,1H3,(H,25,27)(H,26,31)/t12-,14+,15+,16-/m0/s1
InChIKeyYUFMWSSLMCICKH-XZDPQHSOSA-N
MW441.47 g/mol
LogP1.60
Rot. Bonds6

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

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450209) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-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,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450209
Molecular FormulaC21H24FN7O3
Molecular Weight441.47 g/mol
Exact Mass441.19
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@@H]3O)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H24FN7O3/c1-23-18-9-17(25-13-4-3-7-28(21(13)32)15-5-2-6-16(15)30)27-19-11(10-24-29(18)19)20(31)26-14-8-12(14)22/h3-4,7,9-10,12,14-16,23,30H,2,5-6,8H2,1H3,(H,25,27)(H,26,31)/t12-,14+,15+,16-/m0/s1
InChIKeyYUFMWSSLMCICKH-XZDPQHSOSA-N
XLogP1.60
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-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,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450209) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-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,2S)-2-hydroxycyclopentyl]-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,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCC[C@@H]3O)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,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YUFMWSSLMCICKH-XZDPQHSOSA-N. The full InChI is InChI=1S/C21H24FN7O3/c1-23-18-9-17(25-13-4-3-7-28(21(13)32)15-5-2-6-16(15)30)27-19-11(10-24-29(18)19)20(31)26-14-8-12(14)22/h3-4,7,9-10,12,14-16,23,30H,2,5-6,8H2,1H3,(H,25,27)(H,26,31)/t12-,14+,15+,16-/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 1.60, 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-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).