N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C25H29FN6O — CID 134325344

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C25H29FN6O/c1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)
InChIKeyZLKVIHDFELEJAL-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.78
Rot. Bonds6

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325344) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325344
Molecular FormulaC25H29FN6O
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C25H29FN6O/c1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)
InChIKeyZLKVIHDFELEJAL-UHFFFAOYSA-N
XLogP3.78
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325344) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is ZLKVIHDFELEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O/c1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h9-15,18-19,29H,3-8H2,1-2H3,(H,30,33).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 448.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).