4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide

C24H25ClF2N6O — CID 176570337

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCN1CC[C@H](Nc2cncc(-c3cnn(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)c3)c2)[C@H](F)C1
InChIInChI=1S/C24H25ClF2N6O/c1-32-5-4-22(21(27)13-32)30-17-6-14(9-28-11-17)15-10-29-33(12-15)23-7-18(20(26)8-19(23)25)24(34)31-16-2-3-16/h6-12,16,21-22,30H,2-5,13H2,1H3,(H,31,34)/t21-,22+/m1/s1
InChIKeyXRHZMUKRBCWRMR-YADHBBJMSA-N
MW486.95 g/mol
LogP4.07
Rot. Bonds6

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

4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide (PubChem CID 176570337) has the molecular formula C24H25ClF2N6O and a molecular weight of 486.95 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide
PubChem CID176570337
Molecular FormulaC24H25ClF2N6O
Molecular Weight486.95 g/mol
Exact Mass486.17
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCN1CC[C@H](Nc2cncc(-c3cnn(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)c3)c2)[C@H](F)C1
InChIInChI=1S/C24H25ClF2N6O/c1-32-5-4-22(21(27)13-32)30-17-6-14(9-28-11-17)15-10-29-33(12-15)23-7-18(20(26)8-19(23)25)24(34)31-16-2-3-16/h6-12,16,21-22,30H,2-5,13H2,1H3,(H,31,34)/t21-,22+/m1/s1
InChIKeyXRHZMUKRBCWRMR-YADHBBJMSA-N
XLogP4.07
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.95
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[5-[[1-(cyanomethyl)-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570511
N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-4-methylbenzamide
CID 176570395
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-ethyl-5-[4-[5-[[(3R)-1-ethyl-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-2-fluoro-4-methylbenzamide
CID 176570500
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-2-fluoro-5-[4-[3-[[3-fluoro-1-(trihydroxymethyl)piperidin-4-yl]amino]-1,2-dihydropyridin-5-yl]pyrazol-1-yl]-4-methylbenzamide
CID 176570212
5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570121
N-cyclopropyl-2-fluoro-5-[4-[2-fluoro-5-[[(3R)-3-fluoro-1-(3-hydroxy-2-oxopropyl)piperidin-4-yl]amino]-3-pyridinyl]imidazol-1-yl]-4-methylbenzamide
CID 176570222
N-cyclopropyl-2-fluoro-5-[4-[2-fluoro-5-[[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropyl]piperidin-4-yl]amino]-3-pyridinyl]imidazol-1-yl]-4-methylbenzamide
CID 176570194
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
5-[1-[4-bromo-1-methyl-3-(trifluoromethylsulfanyl)pyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283651
N-cyclopropylformamide;N-(1-ethyl-3-fluoropiperidin-4-yl)-5-[1-(4-fluoro-2,5-dimethylphenyl)imidazol-4-yl]pyridin-3-amine
CID 176570473

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide (CID 176570337) is 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide is CN1CC[C@H](Nc2cncc(-c3cnn(-c4cc(C(=O)NC5CC5)c(F)cc4Cl)c3)c2)[C@H](F)C1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide?
The InChIKey is XRHZMUKRBCWRMR-YADHBBJMSA-N. The full InChI is InChI=1S/C24H25ClF2N6O/c1-32-5-4-22(21(27)13-32)30-17-6-14(9-28-11-17)15-10-29-33(12-15)23-7-18(20(26)8-19(23)25)24(34)31-16-2-3-16/h6-12,16,21-22,30H,2-5,13H2,1H3,(H,31,34)/t21-,22+/m1/s1.
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide has a molecular weight of 486.95 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 176570337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).