[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone

C24H26ClF2N5O2 — CID 118522433

IUPAC[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(-n3cc(N)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1
InChIInChI=1S/C24H26ClF2N5O2/c1-30(2)17-9-11-31(12-10-17)23(33)15-3-6-18(7-4-15)32-14-20(28)22(29-32)19-13-16(25)5-8-21(19)34-24(26)27/h3-8,13-14,17,24H,9-12,28H2,1-2H3
InChIKeyFUXYEPRDUZPSCX-UHFFFAOYSA-N
MW489.95 g/mol
LogP4.54
Rot. Bonds6

About [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone

[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 118522433) has the molecular formula C24H26ClF2N5O2 and a molecular weight of 489.95 g/mol. Its IUPAC name is [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID118522433
Molecular FormulaC24H26ClF2N5O2
Molecular Weight489.95 g/mol
Exact Mass489.17
IUPAC Name[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(-n3cc(N)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1
InChIInChI=1S/C24H26ClF2N5O2/c1-30(2)17-9-11-31(12-10-17)23(33)15-3-6-18(7-4-15)32-14-20(28)22(29-32)19-13-16(25)5-8-21(19)34-24(26)27/h3-8,13-14,17,24H,9-12,28H2,1-2H3
InChIKeyFUXYEPRDUZPSCX-UHFFFAOYSA-N
XLogP4.54
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5H-1-benzazepin-5-ylidene acetamide, 1f
CID 44520856
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide
CID 162673340
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(4-chloro-1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 46833372
(2Z)-N-[1-[1-(3-acetamidopropyl)piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-3-amino-3-imino-2-(1H-pyrimidin-2-ylidene)propanamide
CID 137158490
3-(5-chloro-2-ethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49795461
5-chloro-2-methoxy-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808028
3-chloro-N-[(4S)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-5-(trifluoromethyl)benzamide
CID 177051526
(s)-4-(2-(4-(5-chloro-2-(4-(trifluoromethyl)-1h-1,2,3-triazol-1-yl)phenyl)-5-methoxy-2-oxopyridin-1(2h)-yl)butanamido)-N,2-dimethoxybenzamide
CID 172433046
5-chloro-2-methoxy-N-[1-(oxan-4-yl)-1H-pyrazol-4-yl]benzamide
CID 71810184
(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129357785
1-(4-chlorophenyl)-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11261773

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 118522433) is [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc(-n3cc(N)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1.
What is the InChIKey of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is FUXYEPRDUZPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5O2/c1-30(2)17-9-11-31(12-10-17)23(33)15-3-6-18(7-4-15)32-14-20(28)22(29-32)19-13-16(25)5-8-21(19)34-24(26)27/h3-8,13-14,17,24H,9-12,28H2,1-2H3.
What are the key properties of [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 489.95 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 118522433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).