N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C26H30F2N6O — CID 134325440

IUPACN-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CCF)CC3)c2)c1
InChIInChI=1S/C26H30F2N6O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27/h10-16,19-20,31H,2-9H2,1H3,(H,32,35)
InChIKeyYOXDNMQCFIZGCC-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.12
Rot. Bonds8

About N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325440) has the molecular formula C26H30F2N6O and a molecular weight of 480.56 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325440
Molecular FormulaC26H30F2N6O
Molecular Weight480.56 g/mol
Exact Mass480.24
IUPAC NameN-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CCF)CC3)c2)c1
InChIInChI=1S/C26H30F2N6O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27/h10-16,19-20,31H,2-9H2,1H3,(H,32,35)
InChIKeyYOXDNMQCFIZGCC-UHFFFAOYSA-N
XLogP4.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide 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-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325440) is N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(CCF)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is YOXDNMQCFIZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27/h10-16,19-20,31H,2-9H2,1H3,(H,32,35).
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 480.56 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-fluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).