N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C25H26F3N5O — CID 161138760

IUPACN-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCNCC3(F)F)c2)c1
InChIInChI=1S/C25H26F3N5O/c1-15-6-23(26)22(24(34)32-19-2-3-19)9-21(15)17-11-31-33(13-17)20-8-16(10-30-12-20)7-18-4-5-29-14-25(18,27)28/h6,8-13,18-19,29H,2-5,7,14H2,1H3,(H,32,34)
InChIKeyDKGUOOSSCVVRNR-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.06
Rot. Bonds6

About N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 161138760) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID161138760
Molecular FormulaC25H26F3N5O
Molecular Weight469.51 g/mol
Exact Mass469.21
IUPAC NameN-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCNCC3(F)F)c2)c1
InChIInChI=1S/C25H26F3N5O/c1-15-6-23(26)22(24(34)32-19-2-3-19)9-21(15)17-11-31-33(13-17)20-8-16(10-30-12-20)7-18-4-5-29-14-25(18,27)28/h6,8-13,18-19,29H,2-5,7,14H2,1H3,(H,32,34)
InChIKeyDKGUOOSSCVVRNR-UHFFFAOYSA-N
XLogP4.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[oxetan-3-yl(piperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325353
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
CID 134328578
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 160618013
tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 134328612
3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134325343
N-cyclopropyl-2-fluoro-5-[6-[[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]amino]-5-[1-(trideuteriomethyl)pyrazol-4-yl]-3-pyridinyl]-4-methylbenzamide
CID 163227824
4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325482
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide;N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-[1-[5-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 158034832
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 161138760) is N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(CC3CCNCC3(F)F)c2)c1.
What is the InChIKey of N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is DKGUOOSSCVVRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-15-6-23(26)22(24(34)32-19-2-3-19)9-21(15)17-11-31-33(13-17)20-8-16(10-30-12-20)7-18-4-5-29-14-25(18,27)28/h6,8-13,18-19,29H,2-5,7,14H2,1H3,(H,32,34).
What are the key properties of N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 469.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 161138760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).