3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

C27H25N7 — CID 123718606

IUPAC3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(CNc2nc(-c3ccncc3)cn3c(-c4ccc(CNC5CC5)cc4)cnc23)nc1
InChIInChI=1S/C27H25N7/c1-2-12-29-23(3-1)16-31-26-27-32-17-25(21-6-4-19(5-7-21)15-30-22-8-9-22)34(27)18-24(33-26)20-10-13-28-14-11-20/h1-7,10-14,17-18,22,30H,8-9,15-16H2,(H,31,33)
InChIKeyOUQMHXNALPBAPC-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.72
Rot. Bonds8

About 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 123718606) has the molecular formula C27H25N7 and a molecular weight of 447.55 g/mol. Its IUPAC name is 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID123718606
Molecular FormulaC27H25N7
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC Name3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(CNc2nc(-c3ccncc3)cn3c(-c4ccc(CNC5CC5)cc4)cnc23)nc1
InChIInChI=1S/C27H25N7/c1-2-12-29-23(3-1)16-31-26-27-32-17-25(21-6-4-19(5-7-21)15-30-22-8-9-22)34(27)18-24(33-26)20-10-13-28-14-11-20/h1-7,10-14,17-18,22,30H,8-9,15-16H2,(H,31,33)
InChIKeyOUQMHXNALPBAPC-UHFFFAOYSA-N
XLogP4.72
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
CID 123765399
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 10452345
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 10452536
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973299

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (CID 123718606) is 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is c1ccc(CNc2nc(-c3ccncc3)cn3c(-c4ccc(CNC5CC5)cc4)cnc23)nc1.
What is the InChIKey of 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OUQMHXNALPBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7/c1-2-12-29-23(3-1)16-31-26-27-32-17-25(21-6-4-19(5-7-21)15-30-22-8-9-22)34(27)18-24(33-26)20-10-13-28-14-11-20/h1-7,10-14,17-18,22,30H,8-9,15-16H2,(H,31,33).
What are the key properties of 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 447.55 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 123718606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).