N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide

C23H31N5O — CID 167526043

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide
SMILESCC1CC(C)CN(c2cc(NC(=O)C3CC3)ccc2-c2ncc3n2CCNC3)C1
InChIInChI=1S/C23H31N5O/c1-15-9-16(2)14-27(13-15)21-10-18(26-23(29)17-3-4-17)5-6-20(21)22-25-12-19-11-24-7-8-28(19)22/h5-6,10,12,15-17,24H,3-4,7-9,11,13-14H2,1-2H3,(H,26,29)
InChIKeyMJQYWSZYPPUDHM-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.48
Rot. Bonds4

About N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide (PubChem CID 167526043) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide
PubChem CID167526043
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide
SMILESCC1CC(C)CN(c2cc(NC(=O)C3CC3)ccc2-c2ncc3n2CCNC3)C1
InChIInChI=1S/C23H31N5O/c1-15-9-16(2)14-27(13-15)21-10-18(26-23(29)17-3-4-17)5-6-20(21)22-25-12-19-11-24-7-8-28(19)22/h5-6,10,12,15-17,24H,3-4,7-9,11,13-14H2,1-2H3,(H,26,29)
InChIKeyMJQYWSZYPPUDHM-UHFFFAOYSA-N
XLogP3.48
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5R)-3,5-dimethylpiperidin-1-yl]-4-(4,5-dimethyl-1,2,4-triazol-3-yl)phenyl]cyclopropanecarboxamide;toluene
CID 157036234
N-[3-(3,5-dimethylpiperidin-1-yl)-4-(hydrazinecarbonyl)phenyl]cyclopropanecarboxamide
CID 167526042
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
CID 163276867
3-amino-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 119858442
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide (CID 167526043) is N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide is CC1CC(C)CN(c2cc(NC(=O)C3CC3)ccc2-c2ncc3n2CCNC3)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is MJQYWSZYPPUDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-15-9-16(2)14-27(13-15)21-10-18(26-23(29)17-3-4-17)5-6-20(21)22-25-12-19-11-24-7-8-28(19)22/h5-6,10,12,15-17,24H,3-4,7-9,11,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 167526043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).