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

C17H17F2N7O2 — CID 137457565

IUPACN-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H17F2N7O2/c1-20-13-7-12(24-11-3-2-6-21-16(11)28-17(18)19)25-14-10(8-22-26(13)14)15(27)23-9-4-5-9/h2-3,6-9,17,20H,4-5H2,1H3,(H,23,27)(H,24,25)
InChIKeyOURMLBRGPJEMNB-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.40
Rot. Bonds7

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

N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457565) has the molecular formula C17H17F2N7O2 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457565
Molecular FormulaC17H17F2N7O2
Molecular Weight389.37 g/mol
Exact Mass389.14
IUPAC NameN-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H17F2N7O2/c1-20-13-7-12(24-11-3-2-6-21-16(11)28-17(18)19)25-14-10(8-22-26(13)14)15(27)23-9-4-5-9/h2-3,6-9,17,20H,4-5H2,1H3,(H,23,27)(H,24,25)
InChIKeyOURMLBRGPJEMNB-UHFFFAOYSA-N
XLogP2.40
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-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 N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457565) is N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC(F)F)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OURMLBRGPJEMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O2/c1-20-13-7-12(24-11-3-2-6-21-16(11)28-17(18)19)25-14-10(8-22-26(13)14)15(27)23-9-4-5-9/h2-3,6-9,17,20H,4-5H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[2-(difluoromethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).