1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one

C25H33FN4O3 — CID 71140713

IUPAC1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CN(C(=O)[C@@]5(O)CCC[C@H]5F)CC4C3)nc21
InChIInChI=1S/C25H33FN4O3/c1-24(2,3)14-30-19-8-7-18(27-21(19)28(4)23(30)32)15-10-16-12-29(13-17(16)11-15)22(31)25(33)9-5-6-20(25)26/h7-8,10,16-17,20,33H,5-6,9,11-14H2,1-4H3/t16?,17?,20-,25-/m1/s1
InChIKeyONIIGXUKHWYUTA-KFVAFEJSSA-N
MW456.56 g/mol
LogP2.90
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 71140713) has the molecular formula C25H33FN4O3 and a molecular weight of 456.56 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID71140713
Molecular FormulaC25H33FN4O3
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC Name1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CN(C(=O)[C@@]5(O)CCC[C@H]5F)CC4C3)nc21
InChIInChI=1S/C25H33FN4O3/c1-24(2,3)14-30-19-8-7-18(27-21(19)28(4)23(30)32)15-10-16-12-29(13-17(16)11-15)22(31)25(33)9-5-6-20(25)26/h7-8,10,16-17,20,33H,5-6,9,11-14H2,1-4H3/t16?,17?,20-,25-/m1/s1
InChIKeyONIIGXUKHWYUTA-KFVAFEJSSA-N
XLogP2.90
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

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
5-[2-(3,3-difluoro-2-hydroxy-2-methylpropanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71117416
3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
CID 135220748
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
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide
CID 135233340
tert-butyl 5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 71136196
tert-butyl N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]carbamate
CID 71128770
5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123617562
1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197
1-(2,2-dimethylpropyl)-3-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 54761056
1-(2,2-dimethylpropyl)-3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]oct-5-en-5-yl)imidazo[4,5-b]pyridin-2-one
CID 71135235

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 71140713) is 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CN(C(=O)[C@@]5(O)CCC[C@H]5F)CC4C3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ONIIGXUKHWYUTA-KFVAFEJSSA-N. The full InChI is InChI=1S/C25H33FN4O3/c1-24(2,3)14-30-19-8-7-18(27-21(19)28(4)23(30)32)15-10-16-12-29(13-17(16)11-15)22(31)25(33)9-5-6-20(25)26/h7-8,10,16-17,20,33H,5-6,9,11-14H2,1-4H3/t16?,17?,20-,25-/m1/s1.
What are the key properties of 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 456.56 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71140713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).