N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F2N9O — CID 137449637

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(-c3cn(C)nc3F)n2)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C20H19F2N9O/c1-23-17-7-16(27-15-5-3-4-13(25-15)11-9-30(2)29-18(11)22)28-19-10(8-24-31(17)19)20(32)26-14-6-12(14)21/h3-5,7-9,12,14,23H,6H2,1-2H3,(H,26,32)(H,25,27,28)/t12-,14+/m0/s1
InChIKeyHLNYIRJVJUYQNL-GXTWGEPZSA-N
MW439.43 g/mol
LogP2.29
Rot. Bonds6

About N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449637) has the molecular formula C20H19F2N9O and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449637
Molecular FormulaC20H19F2N9O
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(-c3cn(C)nc3F)n2)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C20H19F2N9O/c1-23-17-7-16(27-15-5-3-4-13(25-15)11-9-30(2)29-18(11)22)28-19-10(8-24-31(17)19)20(32)26-14-6-12(14)21/h3-5,7-9,12,14,23H,6H2,1-2H3,(H,26,32)(H,25,27,28)/t12-,14+/m0/s1
InChIKeyHLNYIRJVJUYQNL-GXTWGEPZSA-N
XLogP2.29
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-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-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449637) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(-c3cn(C)nc3F)n2)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HLNYIRJVJUYQNL-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H19F2N9O/c1-23-17-7-16(27-15-5-3-4-13(25-15)11-9-30(2)29-18(11)22)28-19-10(8-24-31(17)19)20(32)26-14-6-12(14)21/h3-5,7-9,12,14,23H,6H2,1-2H3,(H,26,32)(H,25,27,28)/t12-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 2.29, 6 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-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).