3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione

C18H20N6O2 — CID 124906882

IUPAC3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CCN2CCc3[nH]cnc3[C@H]2c2ccccn2)c1=O
InChIInChI=1S/C18H20N6O2/c1-23-17(25)12(10-20-18(23)26)5-8-24-9-6-13-15(22-11-21-13)16(24)14-4-2-3-7-19-14/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,20,26)(H,21,22)/t16-/m1/s1
InChIKeyHSFJKDLTIPWLBQ-MRXNPFEDSA-N
MW352.40 g/mol
LogP0.38
Rot. Bonds4

About 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 124906882) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID124906882
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CCN2CCc3[nH]cnc3[C@H]2c2ccccn2)c1=O
InChIInChI=1S/C18H20N6O2/c1-23-17(25)12(10-20-18(23)26)5-8-24-9-6-13-15(22-11-21-13)16(24)14-4-2-3-7-19-14/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,20,26)(H,21,22)/t16-/m1/s1
InChIKeyHSFJKDLTIPWLBQ-MRXNPFEDSA-N
XLogP0.38
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135090985
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CID 56708230
5-[2-[(2S)-2-benzyl-3-oxopiperazin-1-yl]ethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 124906689
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CID 56871437
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 97151262
5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 75100563
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 24791786
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510
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CID 56721710
(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 124906882) is 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CCN2CCc3[nH]cnc3[C@H]2c2ccccn2)c1=O.
What is the InChIKey of 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HSFJKDLTIPWLBQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-17(25)12(10-20-18(23)26)5-8-24-9-6-13-15(22-11-21-13)16(24)14-4-2-3-7-19-14/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,20,26)(H,21,22)/t16-/m1/s1.
What are the key properties of 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 352.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 124906882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).