N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

C17H21FN6O — CID 118450785

IUPACN-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ncncc2N2CCC(F)(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C17H21FN6O/c1-12-8-21-24(10-12)15-14(9-19-11-20-15)23-6-4-17(18,5-7-23)16(25)22-13-2-3-13/h8-11,13H,2-7H2,1H3,(H,22,25)
InChIKeyDKXNOTGRBMKAFF-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.56
Rot. Bonds4

About N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (PubChem CID 118450785) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
PubChem CID118450785
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC NameN-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ncncc2N2CCC(F)(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C17H21FN6O/c1-12-8-21-24(10-12)15-14(9-19-11-20-15)23-6-4-17(18,5-7-23)16(25)22-13-2-3-13/h8-11,13H,2-7H2,1H3,(H,22,25)
InChIKeyDKXNOTGRBMKAFF-UHFFFAOYSA-N
XLogP1.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Brepocitinib
CID 118878093
Jak1/tyk2-IN-1
CID 118878262
N-[3-[[5-cyclopropyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 44465285
N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225272
US9663526, Example 94
CID 118878190
US9663526, Example 95
CID 118878248
((S)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 135087198
Jak1/tyk2-IN-4
CID 162351808
8-[5-Methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351819
Jak1/tyk2-IN-3
CID 162351826
3-Cyclohexyl-3-[4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 127045965
[(1S)-2,2-difluorocyclopropyl]-[(1R,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 155520341

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (CID 118450785) is N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is Cc1cnn(-c2ncncc2N2CCC(F)(C(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The InChIKey is DKXNOTGRBMKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-12-8-21-24(10-12)15-14(9-19-11-20-15)23-6-4-17(18,5-7-23)16(25)22-13-2-3-13/h8-11,13H,2-7H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-1-[4-(4-methylpyrazol-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118450785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).