(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone

C18H23FN4O3 — CID 118763812

IUPAC(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccn2c(F)c(C(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)nc2c1
InChIInChI=1S/C18H23FN4O3/c1-12-3-6-23-15(9-12)20-16(17(23)19)18(25)22-5-2-4-21(7-8-22)13-10-26-11-14(13)24/h3,6,9,13-14,24H,2,4-5,7-8,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyKWJWJIDKNKWHRS-KBPBESRZSA-N
MW362.41 g/mol
LogP0.69
Rot. Bonds2

About (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone

(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone (PubChem CID 118763812) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
PubChem CID118763812
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccn2c(F)c(C(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)nc2c1
InChIInChI=1S/C18H23FN4O3/c1-12-3-6-23-15(9-12)20-16(17(23)19)18(25)22-5-2-4-21(7-8-22)13-10-26-11-14(13)24/h3,6,9,13-14,24H,2,4-5,7-8,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyKWJWJIDKNKWHRS-KBPBESRZSA-N
XLogP0.69
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone (CID 118763812) is (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone is Cc1ccn2c(F)c(C(=O)N3CCCN([C@H]4COC[C@@H]4O)CC3)nc2c1.
What is the InChIKey of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone?
The InChIKey is KWJWJIDKNKWHRS-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-12-3-6-23-15(9-12)20-16(17(23)19)18(25)22-5-2-4-21(7-8-22)13-10-26-11-14(13)24/h3,6,9,13-14,24H,2,4-5,7-8,10-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone?
(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone has a molecular weight of 362.41 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 118763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).