[4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C26H27N5O3 — CID 169166815

IUPAC[4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2oc(C(C)(C)O)nc2C2CC2)[C@@H](c2cc3ccccc3cn2)c2[nH]cnc21
InChIInChI=1S/C26H27N5O3/c1-14-12-31(24(32)23-20(15-8-9-15)30-25(34-23)26(2,3)33)22(21-19(14)28-13-29-21)18-10-16-6-4-5-7-17(16)11-27-18/h4-7,10-11,13-15,22,33H,8-9,12H2,1-3H3,(H,28,29)/t14-,22+/m1/s1
InChIKeyZXHYOEWSWWFDNH-PEBXRYMYSA-N
MW457.53 g/mol
LogP4.40
Rot. Bonds4

About [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169166815) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169166815
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name[4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2oc(C(C)(C)O)nc2C2CC2)[C@@H](c2cc3ccccc3cn2)c2[nH]cnc21
InChIInChI=1S/C26H27N5O3/c1-14-12-31(24(32)23-20(15-8-9-15)30-25(34-23)26(2,3)33)22(21-19(14)28-13-29-21)18-10-16-6-4-5-7-17(16)11-27-18/h4-7,10-11,13-15,22,33H,8-9,12H2,1-3H3,(H,28,29)/t14-,22+/m1/s1
InChIKeyZXHYOEWSWWFDNH-PEBXRYMYSA-N
XLogP4.40
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169166815) is [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is C[C@@H]1CN(C(=O)c2oc(C(C)(C)O)nc2C2CC2)[C@@H](c2cc3ccccc3cn2)c2[nH]cnc21.
What is the InChIKey of [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ZXHYOEWSWWFDNH-PEBXRYMYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-14-12-31(24(32)23-20(15-8-9-15)30-25(34-23)26(2,3)33)22(21-19(14)28-13-29-21)18-10-16-6-4-5-7-17(16)11-27-18/h4-7,10-11,13-15,22,33H,8-9,12H2,1-3H3,(H,28,29)/t14-,22+/m1/s1.
What are the key properties of [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169166815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).