[5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C18H22ClN5O2 — CID 129345101

IUPAC[5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC[C@@H]2CCc3nccn3C2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H22ClN5O2/c19-15-9-14(18(25)23-5-7-26-8-6-23)11-22-17(15)21-10-13-1-2-16-20-3-4-24(16)12-13/h3-4,9,11,13H,1-2,5-8,10,12H2,(H,21,22)/t13-/m0/s1
InChIKeySNBCSIBMOLOVEY-ZDUSSCGKSA-N
MW375.86 g/mol
LogP2.08
Rot. Bonds4

About [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 129345101) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID129345101
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name[5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC[C@@H]2CCc3nccn3C2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H22ClN5O2/c19-15-9-14(18(25)23-5-7-26-8-6-23)11-22-17(15)21-10-13-1-2-16-20-3-4-24(16)12-13/h3-4,9,11,13H,1-2,5-8,10,12H2,(H,21,22)/t13-/m0/s1
InChIKeySNBCSIBMOLOVEY-ZDUSSCGKSA-N
XLogP2.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 129345101) is [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NC[C@@H]2CCc3nccn3C2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is SNBCSIBMOLOVEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-15-9-14(18(25)23-5-7-26-8-6-23)11-22-17(15)21-10-13-1-2-16-20-3-4-24(16)12-13/h3-4,9,11,13H,1-2,5-8,10,12H2,(H,21,22)/t13-/m0/s1.
What are the key properties of [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 375.86 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129345101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).