N-[(1R,2S)-2-fluorocyclopropyl]-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

C21H22FN7O3 — CID 137449939

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-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
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H22FN7O3/c1-23-17-6-16(27-19-10(7-24-29(17)19)20(30)26-15-5-13(15)22)25-14-3-2-4-28(21(14)31)18-11-8-32-9-12(11)18/h2-4,6-7,11-13,15,18,23H,5,8-9H2,1H3,(H,25,27)(H,26,30)/t11-,12+,13-,15+,18?/m0/s1
InChIKeyYERAAXKQJKQKNW-FPXKFXLISA-N
MW439.45 g/mol
LogP1.33
Rot. Bonds6

About N-[(1R,2S)-2-fluorocyclopropyl]-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

N-[(1R,2S)-2-fluorocyclopropyl]-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 (PubChem CID 137449939) has the molecular formula C21H22FN7O3 and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-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.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-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
PubChem CID137449939
Molecular FormulaC21H22FN7O3
Molecular Weight439.45 g/mol
Exact Mass439.18
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-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
SMILESCNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C21H22FN7O3/c1-23-17-6-16(27-19-10(7-24-29(17)19)20(30)26-15-5-13(15)22)25-14-3-2-4-28(21(14)31)18-11-8-32-9-12(11)18/h2-4,6-7,11-13,15,18,23H,5,8-9H2,1H3,(H,25,27)(H,26,30)/t11-,12+,13-,15+,18?/m0/s1
InChIKeyYERAAXKQJKQKNW-FPXKFXLISA-N
XLogP1.33
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S)-2-fluorocyclopropyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-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?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-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 137449939) is N-[(1R,2S)-2-fluorocyclopropyl]-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.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-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?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-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 is CNc1cc(Nc2cccn(C3[C@H]4COC[C@@H]34)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-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?
The InChIKey is YERAAXKQJKQKNW-FPXKFXLISA-N. The full InChI is InChI=1S/C21H22FN7O3/c1-23-17-6-16(27-19-10(7-24-29(17)19)20(30)26-15-5-13(15)22)25-14-3-2-4-28(21(14)31)18-11-8-32-9-12(11)18/h2-4,6-7,11-13,15,18,23H,5,8-9H2,1H3,(H,25,27)(H,26,30)/t11-,12+,13-,15+,18?/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-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?
N-[(1R,2S)-2-fluorocyclopropyl]-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 has a molecular weight of 439.45 g/mol, XLogP of 1.33, 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]-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 is sourced from PubChem (CID 137449939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).