[2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol

C25H29N3O2 — CID 177207896

IUPAC[2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(-c3ccc(CCc4ccnc(OCC5CC5)c4)cc3)cn2C1
InChIInChI=1S/C25H29N3O2/c29-16-21-7-10-24-27-23(15-28(24)14-21)22-8-5-18(6-9-22)1-2-19-11-12-26-25(13-19)30-17-20-3-4-20/h5-6,8-9,11-13,15,20-21,29H,1-4,7,10,14,16-17H2
InChIKeyDJEKSRWTXSNQTH-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.07
Rot. Bonds8

About [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol

[2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 177207896) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
PubChem CID177207896
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(-c3ccc(CCc4ccnc(OCC5CC5)c4)cc3)cn2C1
InChIInChI=1S/C25H29N3O2/c29-16-21-7-10-24-27-23(15-28(24)14-21)22-8-5-18(6-9-22)1-2-19-11-12-26-25(13-19)30-17-20-3-4-20/h5-6,8-9,11-13,15,20-21,29H,1-4,7,10,14,16-17H2
InChIKeyDJEKSRWTXSNQTH-UHFFFAOYSA-N
XLogP4.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
The IUPAC name of [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol (CID 177207896) is [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol.
What is the SMILES notation for [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
The canonical SMILES for [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol is OCC1CCc2nc(-c3ccc(CCc4ccnc(OCC5CC5)c4)cc3)cn2C1.
What is the InChIKey of [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
The InChIKey is DJEKSRWTXSNQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-16-21-7-10-24-27-23(15-28(24)14-21)22-8-5-18(6-9-22)1-2-19-11-12-26-25(13-19)30-17-20-3-4-20/h5-6,8-9,11-13,15,20-21,29H,1-4,7,10,14,16-17H2.
What are the key properties of [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
[2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 403.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-[2-(cyclopropylmethoxy)-4-pyridinyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 177207896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).