(4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C14H16F2N4O2 — CID 144786724

IUPAC(4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1cc2ncn(C(F)F)c2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
InChIInChI=1S/C14H16F2N4O2/c1-7-3-10-12(20(6-18-10)14(15)16)13(19-7)22-8(2)9-4-11(21)17-5-9/h3,6,8-9,14H,4-5H2,1-2H3,(H,17,21)/t8-,9-/m1/s1
InChIKeyBPDAXVOYMZNICA-RKDXNWHRSA-N
MW310.30 g/mol
LogP2.04
Rot. Bonds4

About (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 144786724) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID144786724
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name(4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1cc2ncn(C(F)F)c2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
InChIInChI=1S/C14H16F2N4O2/c1-7-3-10-12(20(6-18-10)14(15)16)13(19-7)22-8(2)9-4-11(21)17-5-9/h3,6,8-9,14H,4-5H2,1-2H3,(H,17,21)/t8-,9-/m1/s1
InChIKeyBPDAXVOYMZNICA-RKDXNWHRSA-N
XLogP2.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-({(3S)-1-[(3,3-difluorocyclobutyl)carbonyl]pyr-rolidin-3-yl}oxy)-9-ethyl-8-(6-methoxypyridin-3-yl)-9H-purine
CID 90166699
6-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]oxy}-8-[6-(difluoromethoxy)pyridin-3-yl]-9-ethyl-9H-purine
CID 90166649
US9914735, Example 83
CID 118386412
US10150728, Example I-625
CID 122497765
US10150728, Example I-694
CID 122497799
US10150728, Example I-624
CID 122497806
US10150728, Example I-641
CID 122498105
US10233156, Example I-210
CID 134357807
6-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]oxy}-9-ethyl-8-(2-methoxypyridin-4-yl)-9H-purine
CID 90166860
example 3A.02, on page 196 of WO15017610
CID 117843029
US10150728, Example I-563
CID 122497789
US10150728, Example I-607
CID 122497796

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 144786724) is (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1cc2ncn(C(F)F)c2c(O[C@H](C)[C@H]2CNC(=O)C2)n1.
What is the InChIKey of (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is BPDAXVOYMZNICA-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-7-3-10-12(20(6-18-10)14(15)16)13(19-7)22-8(2)9-4-11(21)17-5-9/h3,6,8-9,14H,4-5H2,1-2H3,(H,17,21)/t8-,9-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 310.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[3-(difluoromethyl)-6-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 144786724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).