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

C25H28ClFN6O2 — CID 134325482

IUPAC4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1
InChIInChI=1S/C25H28ClFN6O2/c1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16/h7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m0/s1
InChIKeyRWEMWCNCWJOHHX-BJKOFHAPSA-N
MW498.99 g/mol
LogP3.75
Rot. Bonds7

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

4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325482) has the molecular formula C25H28ClFN6O2 and a molecular weight of 498.99 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325482
Molecular FormulaC25H28ClFN6O2
Molecular Weight498.99 g/mol
Exact Mass498.19
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1
InChIInChI=1S/C25H28ClFN6O2/c1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16/h7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m0/s1
InChIKeyRWEMWCNCWJOHHX-BJKOFHAPSA-N
XLogP3.75
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxypiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134348236
5-[4-[5-[[1-(cyanomethyl)-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570511
5-[1-[(E)-1-[(2-amino-2-oxoethanethioyl)amino]prop-1-en-2-yl]pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide
CID 155015363
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
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-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
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-4-fluorobenzamide
CID 130357087
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of 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) is 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is CO[C@@H]1CN(C)CC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)c1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is RWEMWCNCWJOHHX-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H28ClFN6O2/c1-32-6-5-23(24(14-32)35-2)30-17-7-18(12-28-11-17)33-13-15(10-29-33)19-8-20(22(27)9-21(19)26)25(34)31-16-3-4-16/h7-13,16,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m0/s1.
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 498.99 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-5-[1-[5-[[(3R,4S)-3-methoxy-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).