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

C19H17FN8O3 — CID 137449923

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H17FN8O3/c1-21-15-8-14(24-12-3-2-5-27(18(12)30)19-22-4-6-31-19)26-16-10(9-23-28(15)16)17(29)25-13-7-11(13)20/h2-6,8-9,11,13,21H,7H2,1H3,(H,24,26)(H,25,29)/t11-,13+/m1/s1
InChIKeyPMHGIDTZQLGQFF-YPMHNXCESA-N
MW424.40 g/mol
LogP1.49
Rot. Bonds6

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449923) has the molecular formula C19H17FN8O3 and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449923
Molecular FormulaC19H17FN8O3
Molecular Weight424.40 g/mol
Exact Mass424.14
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C19H17FN8O3/c1-21-15-8-14(24-12-3-2-5-27(18(12)30)19-22-4-6-31-19)26-16-10(9-23-28(15)16)17(29)25-13-7-11(13)20/h2-6,8-9,11,13,21H,7H2,1H3,(H,24,26)(H,25,29)/t11-,13+/m1/s1
InChIKeyPMHGIDTZQLGQFF-YPMHNXCESA-N
XLogP1.49
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449923) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ncco3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PMHGIDTZQLGQFF-YPMHNXCESA-N. The full InChI is InChI=1S/C19H17FN8O3/c1-21-15-8-14(24-12-3-2-5-27(18(12)30)19-22-4-6-31-19)26-16-10(9-23-28(15)16)17(29)25-13-7-11(13)20/h2-6,8-9,11,13,21H,7H2,1H3,(H,24,26)(H,25,29)/t11-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).