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

C24H23F2N5O2 — CID 71117112

IUPAC1-[(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
SMILESCn1c(=O)n(CC2CC2(F)F)c2ccc(C3=CC4CN(C(=O)c5cccnc5)CC4C3)nc21
InChIInChI=1S/C24H23F2N5O2/c1-29-21-20(31(23(29)33)13-18-9-24(18,25)26)5-4-19(28-21)15-7-16-11-30(12-17(16)8-15)22(32)14-3-2-6-27-10-14/h2-7,10,16-18H,8-9,11-13H2,1H3
InChIKeyNOWXRAFVMFQAEY-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.96
Rot. Bonds4

About 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

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 (PubChem CID 71117112) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID71117112
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name1-[(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
SMILESCn1c(=O)n(CC2CC2(F)F)c2ccc(C3=CC4CN(C(=O)c5cccnc5)CC4C3)nc21
InChIInChI=1S/C24H23F2N5O2/c1-29-21-20(31(23(29)33)13-18-9-24(18,25)26)5-4-19(28-21)15-7-16-11-30(12-17(16)8-15)22(32)14-3-2-6-27-10-14/h2-7,10,16-18H,8-9,11-13H2,1H3
InChIKeyNOWXRAFVMFQAEY-UHFFFAOYSA-N
XLogP2.96
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 123301197
1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyhexanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 71140714
1-[5-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxo-[1,2,5]thiadiazolo[3,4-b]pyridin-5-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-hydroxy-2-methylpropan-1-one
CID 71119170
1-benzyl-3-methyl-7-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125002688
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
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
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
1,3-dimethyl-7-[(2R)-4-(pyridine-3-carbonyl)morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125011324
[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
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)n(CC2CC2(F)F)c2ccc(C3=CC4CN(C(=O)c5cccnc5)CC4C3)nc21.
What is the InChIKey of 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?
The InChIKey is NOWXRAFVMFQAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-29-21-20(31(23(29)33)13-18-9-24(18,25)26)5-4-19(28-21)15-7-16-11-30(12-17(16)8-15)22(32)14-3-2-6-27-10-14/h2-7,10,16-18H,8-9,11-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 451.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71117112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).