7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C26H40N10 — CID 155357058

IUPAC7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(CC1CCN(C(C)C)c2nccn21)N1CCn2nc(C(C)(C)N3CCc4nc[nH]c4C3)nc2C1
InChIInChI=1S/C26H40N10/c1-18(2)34-10-6-20(35-11-8-27-25(34)35)14-19(3)32-12-13-36-23(16-32)30-24(31-36)26(4,5)33-9-7-21-22(15-33)29-17-28-21/h8,11,17-20H,6-7,9-10,12-16H2,1-5H3,(H,28,29)
InChIKeySTXPVTSVCCANIO-UHFFFAOYSA-N
MW492.68 g/mol
LogP2.95
Rot. Bonds6

About 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 155357058) has the molecular formula C26H40N10 and a molecular weight of 492.68 g/mol. Its IUPAC name is 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID155357058
Molecular FormulaC26H40N10
Molecular Weight492.68 g/mol
Exact Mass492.34
IUPAC Name7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(CC1CCN(C(C)C)c2nccn21)N1CCn2nc(C(C)(C)N3CCc4nc[nH]c4C3)nc2C1
InChIInChI=1S/C26H40N10/c1-18(2)34-10-6-20(35-11-8-27-25(34)35)14-19(3)32-12-13-36-23(16-32)30-24(31-36)26(4,5)33-9-7-21-22(15-33)29-17-28-21/h8,11,17-20H,6-7,9-10,12-16H2,1-5H3,(H,28,29)
InChIKeySTXPVTSVCCANIO-UHFFFAOYSA-N
XLogP2.95
TPSA86.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 155357058) is 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(CC1CCN(C(C)C)c2nccn21)N1CCn2nc(C(C)(C)N3CCc4nc[nH]c4C3)nc2C1.
What is the InChIKey of 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is STXPVTSVCCANIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N10/c1-18(2)34-10-6-20(35-11-8-27-25(34)35)14-19(3)32-12-13-36-23(16-32)30-24(31-36)26(4,5)33-9-7-21-22(15-33)29-17-28-21/h8,11,17-20H,6-7,9-10,12-16H2,1-5H3,(H,28,29).
What are the key properties of 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 492.68 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 155357058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).