(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H22N6 — CID 95867865

IUPAC(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1ccccn1
InChIInChI=1S/C18H22N6/c1-2-9-23-11-8-20-18(23)17-16-15(21-13-22-16)6-10-24(17)12-14-5-3-4-7-19-14/h3-5,7-8,11,13,17H,2,6,9-10,12H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyLUHQDOZGSPDIEL-KRWDZBQOSA-N
MW322.42 g/mol
LogP2.56
Rot. Bonds5

About (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95867865) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95867865
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1ccccn1
InChIInChI=1S/C18H22N6/c1-2-9-23-11-8-20-18(23)17-16-15(21-13-22-16)6-10-24(17)12-14-5-3-4-7-19-14/h3-5,7-8,11,13,17H,2,6,9-10,12H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyLUHQDOZGSPDIEL-KRWDZBQOSA-N
XLogP2.56
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95867865) is (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1ccccn1.
What is the InChIKey of (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is LUHQDOZGSPDIEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-9-23-11-8-20-18(23)17-16-15(21-13-22-16)6-10-24(17)12-14-5-3-4-7-19-14/h3-5,7-8,11,13,17H,2,6,9-10,12H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 322.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-propylimidazol-2-yl)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95867865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).