[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate

C25H29F2N5O3 — CID 67056099

IUPAC[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate
SMILESCn1c(=O)n(CC2CC2(F)F)c2ccc(N3c4ccccc4CC(OC(N)=O)C3C(C)(C)C)nc21
InChIInChI=1S/C25H29F2N5O3/c1-24(2,3)20-18(35-22(28)33)11-14-7-5-6-8-16(14)32(20)19-10-9-17-21(29-19)30(4)23(34)31(17)13-15-12-25(15,26)27/h5-10,15,18,20H,11-13H2,1-4H3,(H2,28,33)
InChIKeyHDZOPBHVOFISTQ-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.96
Rot. Bonds4

About [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate

[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate (PubChem CID 67056099) has the molecular formula C25H29F2N5O3 and a molecular weight of 485.54 g/mol. Its IUPAC name is [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate.

Molecular Properties

Compound Name[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate
PubChem CID67056099
Molecular FormulaC25H29F2N5O3
Molecular Weight485.54 g/mol
Exact Mass485.22
IUPAC Name[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate
SMILESCn1c(=O)n(CC2CC2(F)F)c2ccc(N3c4ccccc4CC(OC(N)=O)C3C(C)(C)C)nc21
InChIInChI=1S/C25H29F2N5O3/c1-24(2,3)20-18(35-22(28)33)11-14-7-5-6-8-16(14)32(20)19-10-9-17-21(29-19)30(4)23(34)31(17)13-15-12-25(15,26)27/h5-10,15,18,20H,11-13H2,1-4H3,(H2,28,33)
InChIKeyHDZOPBHVOFISTQ-UHFFFAOYSA-N
XLogP3.96
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate with MolForge

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Related Compounds

tert-butyl-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 67056047
N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]methanesulfonamide
CID 67056118
1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]imidazo[4,5-b]pyridin-2-one
CID 71117112
N-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]pyrimidine-5-carboxamide
CID 67056166
1-(2,2-dimethylpropyl)-3-methyl-5-[8-(2-oxo-1H-pyridine-3-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]imidazo[4,5-b]pyridin-2-one
CID 51038868
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(pyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 75603493
5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71214483
(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate
CID 175215761
1-(2,2-dimethylpropyl)-5-[5-(1,5-dimethylpyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one;2,2,2-trifluoroacetic acid
CID 173042348
9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 67056039
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(1H-1,2,4-triazole-5-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 51036310
(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
CID 174934664

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate?
The IUPAC name of [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate (CID 67056099) is [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate.
What is the SMILES notation for [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate?
The canonical SMILES for [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate is Cn1c(=O)n(CC2CC2(F)F)c2ccc(N3c4ccccc4CC(OC(N)=O)C3C(C)(C)C)nc21.
What is the InChIKey of [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate?
The InChIKey is HDZOPBHVOFISTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O3/c1-24(2,3)20-18(35-22(28)33)11-14-7-5-6-8-16(14)32(20)19-10-9-17-21(29-19)30(4)23(34)31(17)13-15-12-25(15,26)27/h5-10,15,18,20H,11-13H2,1-4H3,(H2,28,33).
What are the key properties of [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate?
[2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate has a molecular weight of 485.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-1-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl] carbamate is sourced from PubChem (CID 67056099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).