1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea

C16H18N6O2 — CID 164633963

IUPAC1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCc2ccc3cncn3c2)nn1
InChIInChI=1S/C16H18N6O2/c1-11(2)24-15-6-5-14(20-21-15)19-16(23)18-7-12-3-4-13-8-17-10-22(13)9-12/h3-6,8-11H,7H2,1-2H3,(H2,18,19,20,23)
InChIKeyYKEFIOUFFOZKRU-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.23
Rot. Bonds5

About 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea

1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea (PubChem CID 164633963) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea.

Molecular Properties

Compound Name1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea
PubChem CID164633963
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCc2ccc3cncn3c2)nn1
InChIInChI=1S/C16H18N6O2/c1-11(2)24-15-6-5-14(20-21-15)19-16(23)18-7-12-3-4-13-8-17-10-22(13)9-12/h3-6,8-11H,7H2,1-2H3,(H2,18,19,20,23)
InChIKeyYKEFIOUFFOZKRU-UHFFFAOYSA-N
XLogP2.23
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-propan-2-yloxypyridazin-3-yl)propanamide
CID 119044052
1-(imidazo[1,5-a]pyridin-6-ylmethylcarbamoyl)cyclopent-3-ene-1-carboxylic acid
CID 167921077
(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
CID 146097994
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94114303
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94178624
1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55808925
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
N-(imidazo[1,5-a]pyridin-6-ylmethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166377580
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815
3-[(3-methylphenyl)methyl]-N-(6-propan-2-yloxypyridazin-3-yl)azetidine-1-carboxamide
CID 154757231
1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea
CID 154764880
3-bromo-N-(6-propan-2-yloxypyridazin-3-yl)pyridine-2-carboxamide
CID 99839706

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea?
The IUPAC name of 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea (CID 164633963) is 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea.
What is the SMILES notation for 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea?
The canonical SMILES for 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea is CC(C)Oc1ccc(NC(=O)NCc2ccc3cncn3c2)nn1.
What is the InChIKey of 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea?
The InChIKey is YKEFIOUFFOZKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11(2)24-15-6-5-14(20-21-15)19-16(23)18-7-12-3-4-13-8-17-10-22(13)9-12/h3-6,8-11H,7H2,1-2H3,(H2,18,19,20,23).
What are the key properties of 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea?
1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,5-a]pyridin-6-ylmethyl)-3-(6-propan-2-yloxypyridazin-3-yl)urea is sourced from PubChem (CID 164633963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).