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

C26H31FN6O — CID 134335693

IUPACN-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCC(N(C)C)CC3)c2)c1
InChIInChI=1S/C26H31FN6O/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3/h10-16,19-20H,4-9H2,1-3H3,(H,30,34)
InChIKeyAGKBKXPZQSRQKZ-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.80
Rot. Bonds6

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

N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134335693) has the molecular formula C26H31FN6O and a molecular weight of 462.57 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134335693
Molecular FormulaC26H31FN6O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC NameN-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCC(N(C)C)CC3)c2)c1
InChIInChI=1S/C26H31FN6O/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3/h10-16,19-20H,4-9H2,1-3H3,(H,30,34)
InChIKeyAGKBKXPZQSRQKZ-UHFFFAOYSA-N
XLogP3.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[5-[oxetan-3-yl(piperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325353
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
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
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-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
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
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-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
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
5-[5-cyano-6-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227747
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134335693) is N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(N3CCC(N(C)C)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is AGKBKXPZQSRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3/h10-16,19-20H,4-9H2,1-3H3,(H,30,34).
What are the key properties of N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134335693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).