4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine

C24H27N7 — CID 66546328

IUPAC4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1
InChIInChI=1S/C24H27N7/c25-18-9-11-19(12-10-18)29-23-24-28-16-21(31(24)14-13-26-23)20-7-4-8-22(30-20)27-15-17-5-2-1-3-6-17/h1-8,13-14,16,18-19H,9-12,15,25H2,(H,26,29)(H,27,30)
InChIKeyRXJTUDKETVEJBC-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.09
Rot. Bonds6

About 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine

4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine (PubChem CID 66546328) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine
PubChem CID66546328
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1
InChIInChI=1S/C24H27N7/c25-18-9-11-19(12-10-18)29-23-24-28-16-21(31(24)14-13-26-23)20-7-4-8-22(30-20)27-15-17-5-2-1-3-6-17/h1-8,13-14,16,18-19H,9-12,15,25H2,(H,26,29)(H,27,30)
InChIKeyRXJTUDKETVEJBC-UHFFFAOYSA-N
XLogP4.09
TPSA93.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine (CID 66546328) is 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1.
What is the InChIKey of 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
The InChIKey is RXJTUDKETVEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c25-18-9-11-19(12-10-18)29-23-24-28-16-21(31(24)14-13-26-23)20-7-4-8-22(30-20)27-15-17-5-2-1-3-6-17/h1-8,13-14,16,18-19H,9-12,15,25H2,(H,26,29)(H,27,30).
What are the key properties of 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine?
4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine has a molecular weight of 413.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[6-(benzylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66546328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).