4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C23H24F3N7O — CID 118888530

IUPAC4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESNc1cnc(N2CCC(N3CC(=O)Nc4ccccc4C3)CC2)cc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N7O/c24-23(25,26)20-12-33(14-29-20)19-9-21(28-10-17(19)27)31-7-5-16(6-8-31)32-11-15-3-1-2-4-18(15)30-22(34)13-32/h1-4,9-10,12,14,16H,5-8,11,13,27H2,(H,30,34)
InChIKeySIQCQZVKCDONJC-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.29
Rot. Bonds3

About 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 118888530) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID118888530
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESNc1cnc(N2CCC(N3CC(=O)Nc4ccccc4C3)CC2)cc1-n1cnc(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N7O/c24-23(25,26)20-12-33(14-29-20)19-9-21(28-10-17(19)27)31-7-5-16(6-8-31)32-11-15-3-1-2-4-18(15)30-22(34)13-32/h1-4,9-10,12,14,16H,5-8,11,13,27H2,(H,30,34)
InChIKeySIQCQZVKCDONJC-UHFFFAOYSA-N
XLogP3.29
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

SB-220025
CID 5164
SB-242235
CID 9863367
2,4-Disubstituted Pyrimidine 3d
CID 5329429
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 165415156
6-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415224
6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415249
N-cyclohexyl-4-[2-(4-fluorophenyl)-4-piperidin-4-ylimidazol-1-yl]pyrimidin-2-amine
CID 44345782
1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439457

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 118888530) is 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is Nc1cnc(N2CCC(N3CC(=O)Nc4ccccc4C3)CC2)cc1-n1cnc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is SIQCQZVKCDONJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O/c24-23(25,26)20-12-33(14-29-20)19-9-21(28-10-17(19)27)31-7-5-16(6-8-31)32-11-15-3-1-2-4-18(15)30-22(34)13-32/h1-4,9-10,12,14,16H,5-8,11,13,27H2,(H,30,34).
What are the key properties of 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 471.49 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-amino-4-[4-(trifluoromethyl)imidazol-1-yl]-2-pyridinyl]piperidin-4-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118888530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).