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

C17H16F3N7O2 — CID 139401819

IUPAC5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)F)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C17H16F3N7O2/c1-21-13-6-12(24-10-3-2-4-22-16(10)29-17(19)20)26-14-8(7-23-27(13)14)15(28)25-11-5-9(11)18/h2-4,6-7,9,11,17,21H,5H2,1H3,(H,24,26)(H,25,28)/t9-,11+/m1/s1
InChIKeyOQXWYPCIULHKAF-KOLCDFICSA-N
MW407.36 g/mol
LogP2.35
Rot. Bonds7

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

5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139401819) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139401819
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC Name5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)F)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C17H16F3N7O2/c1-21-13-6-12(24-10-3-2-4-22-16(10)29-17(19)20)26-14-8(7-23-27(13)14)15(28)25-11-5-9(11)18/h2-4,6-7,9,11,17,21H,5H2,1H3,(H,24,26)(H,25,28)/t9-,11+/m1/s1
InChIKeyOQXWYPCIULHKAF-KOLCDFICSA-N
XLogP2.35
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)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 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139401819) is 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC(F)F)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OQXWYPCIULHKAF-KOLCDFICSA-N. The full InChI is InChI=1S/C17H16F3N7O2/c1-21-13-6-12(24-10-3-2-4-22-16(10)29-17(19)20)26-14-8(7-23-27(13)14)15(28)25-11-5-9(11)18/h2-4,6-7,9,11,17,21H,5H2,1H3,(H,24,26)(H,25,28)/t9-,11+/m1/s1.
What are the key properties of 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139401819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).