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

C19H20FN7O3 — CID 137449649

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2COC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H20FN7O3/c1-21-16-6-15(24-13-3-2-4-22-19(13)30-10-8-29-9-10)26-17-11(7-23-27(16)17)18(28)25-14-5-12(14)20/h2-4,6-7,10,12,14,21H,5,8-9H2,1H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1
InChIKeyFHSIKLYIZFINHK-OCCSQVGLSA-N
MW413.41 g/mol
LogP1.53
Rot. Bonds7

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449649) has the molecular formula C19H20FN7O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449649
Molecular FormulaC19H20FN7O3
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2COC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H20FN7O3/c1-21-16-6-15(24-13-3-2-4-22-19(13)30-10-8-29-9-10)26-17-11(7-23-27(16)17)18(28)25-14-5-12(14)20/h2-4,6-7,10,12,14,21H,5,8-9H2,1H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1
InChIKeyFHSIKLYIZFINHK-OCCSQVGLSA-N
XLogP1.53
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449649) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2COC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FHSIKLYIZFINHK-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H20FN7O3/c1-21-16-6-15(24-13-3-2-4-22-19(13)30-10-8-29-9-10)26-17-11(7-23-27(16)17)18(28)25-14-5-12(14)20/h2-4,6-7,10,12,14,21H,5,8-9H2,1H3,(H,24,26)(H,25,28)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxetan-3-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).