3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

C18H20N6O — CID 99928379

IUPAC3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)cn1
InChIInChI=1S/C18H20N6O/c1-23-11-13(10-22-23)2-3-16(25)24-9-6-15-17(21-12-20-15)18(24)14-4-7-19-8-5-14/h4-5,7-8,10-12,18H,2-3,6,9H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyYMMLTGLTJVTKPR-SFHVURJKSA-N
MW336.40 g/mol
LogP1.65
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 99928379) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID99928379
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)cn1
InChIInChI=1S/C18H20N6O/c1-23-11-13(10-22-23)2-3-16(25)24-9-6-15-17(21-12-20-15)18(24)14-4-7-19-8-5-14/h4-5,7-8,10-12,18H,2-3,6,9H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyYMMLTGLTJVTKPR-SFHVURJKSA-N
XLogP1.65
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 21330714
2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145378
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 163308528
N-(4-ethoxyphenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145387
methyl 4-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39378080
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 131910485
2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 136573149
N-(2,6-difluorophenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145388
3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 169167419
methyl 4-methyl-3-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51975006

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (CID 99928379) is 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is Cn1cc(CCC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is YMMLTGLTJVTKPR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-11-13(10-22-23)2-3-16(25)24-9-6-15-17(21-12-20-15)18(24)14-4-7-19-8-5-14/h4-5,7-8,10-12,18H,2-3,6,9H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 336.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 99928379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).