6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone

C20H21N5O — CID 56884455

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
SMILESCc1c(NCc2ccccn2)cccc1C(=O)N1CCn2cncc2C1
InChIInChI=1S/C20H21N5O/c1-15-18(20(26)24-9-10-25-14-21-12-17(25)13-24)6-4-7-19(15)23-11-16-5-2-3-8-22-16/h2-8,12,14,23H,9-11,13H2,1H3
InChIKeyKNQJRNIWFQRHKG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.85
Rot. Bonds4

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone (PubChem CID 56884455) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
PubChem CID56884455
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
SMILESCc1c(NCc2ccccn2)cccc1C(=O)N1CCn2cncc2C1
InChIInChI=1S/C20H21N5O/c1-15-18(20(26)24-9-10-25-14-21-12-17(25)13-24)6-4-7-19(15)23-11-16-5-2-3-8-22-16/h2-8,12,14,23H,9-11,13H2,1H3
InChIKeyKNQJRNIWFQRHKG-UHFFFAOYSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone
CID 56914741
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826332
2-methyl-3-(pyridin-2-ylmethylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
CID 56740372
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid
CID 79784003
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
CID 95147228
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
CID 133120656
methyl 2-amino-3-(pyridin-2-ylmethylamino)benzoate
CID 115544524
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzoic acid
CID 66116637

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone (CID 56884455) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone is Cc1c(NCc2ccccn2)cccc1C(=O)N1CCn2cncc2C1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone?
The InChIKey is KNQJRNIWFQRHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15-18(20(26)24-9-10-25-14-21-12-17(25)13-24)6-4-7-19(15)23-11-16-5-2-3-8-22-16/h2-8,12,14,23H,9-11,13H2,1H3.
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 56884455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).