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

C28H26N6O2 — CID 169166712

IUPAC[4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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(C3CC=CC=N3)nc2C2CC2)[C@H](c2cc3ccccc3cn2)c2[nH]cnc21
InChIInChI=1S/C28H26N6O2/c1-16-14-34(28(35)26-23(17-9-10-17)33-27(36-26)20-8-4-5-11-29-20)25(24-22(16)31-15-32-24)21-12-18-6-2-3-7-19(18)13-30-21/h2-7,11-13,15-17,20,25H,8-10,14H2,1H3,(H,31,32)/t16-,20?,25-/m1/s1
InChIKeyLPUKGZSYEBDIIE-CWDDKSNFSA-N
MW478.56 g/mol
LogP5.24
Rot. Bonds4

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

[4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169166712) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169166712
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name[4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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(C3CC=CC=N3)nc2C2CC2)[C@H](c2cc3ccccc3cn2)c2[nH]cnc21
InChIInChI=1S/C28H26N6O2/c1-16-14-34(28(35)26-23(17-9-10-17)33-27(36-26)20-8-4-5-11-29-20)25(24-22(16)31-15-32-24)21-12-18-6-2-3-7-19(18)13-30-21/h2-7,11-13,15-17,20,25H,8-10,14H2,1H3,(H,31,32)/t16-,20?,25-/m1/s1
InChIKeyLPUKGZSYEBDIIE-CWDDKSNFSA-N
XLogP5.24
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-[(4R,7S)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863049
[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
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863210
[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-[(4S)-4-isoquinolin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;hydrochloride
CID 176863160
[(4R)-4-isoquinolin-3-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 169166687
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166929
[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863064
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
CID 169166472
(4-cyclopropyl-2-pyridin-2-yl-1,3-oxazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166339
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863059
4-isoquinolin-3-ylcycloheptane-1-carboxylic acid
CID 139695403
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-cyclopropyl-4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
CID 177297452

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169166712) is [4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,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(C3CC=CC=N3)nc2C2CC2)[C@H](c2cc3ccccc3cn2)c2[nH]cnc21.
What is the InChIKey of [4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is LPUKGZSYEBDIIE-CWDDKSNFSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-16-14-34(28(35)26-23(17-9-10-17)33-27(36-26)20-8-4-5-11-29-20)25(24-22(16)31-15-32-24)21-12-18-6-2-3-7-19(18)13-30-21/h2-7,11-13,15-17,20,25H,8-10,14H2,1H3,(H,31,32)/t16-,20?,25-/m1/s1.
What are the key properties of [4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 478.56 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2,3-dihydropyridin-2-yl)-1,3-oxazol-5-yl]-[(4S,7R)-4-isoquinolin-3-yl-7-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169166712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).