(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C20H21N5O — CID 50966520

IUPAC(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)ccn1
InChIInChI=1S/C20H21N5O/c1-2-4-16-11-14(6-9-22-16)20(26)25-10-7-17-18(24-13-23-17)19(25)15-5-3-8-21-12-15/h3,5-6,8-9,11-13,19H,2,4,7,10H2,1H3,(H,23,24)
InChIKeyQESYEBOZYQFERA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.94
Rot. Bonds4

About (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 50966520) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID50966520
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)ccn1
InChIInChI=1S/C20H21N5O/c1-2-4-16-11-14(6-9-22-16)20(26)25-10-7-17-18(24-13-23-17)19(25)15-5-3-8-21-12-15/h3,5-6,8-9,11-13,19H,2,4,7,10H2,1H3,(H,23,24)
InChIKeyQESYEBOZYQFERA-UHFFFAOYSA-N
XLogP2.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50961516
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 131895282
(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 70762419
2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 136573149
2-morpholin-4-yl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012291
(4R)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 125173566
(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012296
methyl 2-[(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)amino]propanoate
CID 45370927
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
2-(benzotriazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 166324481
methyl (2S)-3-phenyl-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
CID 39377768
methyl 5-fluoro-2-[[(4R)-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51972042

Frequently Asked Questions

What is the IUPAC name of (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 50966520) is (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CCCc1cc(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)ccn1.
What is the InChIKey of (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QESYEBOZYQFERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-4-16-11-14(6-9-22-16)20(26)25-10-7-17-18(24-13-23-17)19(25)15-5-3-8-21-12-15/h3,5-6,8-9,11-13,19H,2,4,7,10H2,1H3,(H,23,24).
What are the key properties of (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 50966520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).