2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline

C22H21N7 — CID 126557815

IUPAC2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2nc(CC3C[C@H]3c3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C22H21N7/c1-12-11-24-13(2)21-25-19(27-29(12)21)10-14-9-16(14)22-26-20-15-5-4-8-23-17(15)6-7-18(20)28(22)3/h4-8,11,14,16H,9-10H2,1-3H3/t14?,16-/m1/s1
InChIKeyCLBXZYPTAMBVKC-BZSJEYESSA-N
MW383.46 g/mol
LogP3.52
Rot. Bonds3

About 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline

2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 126557815) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID126557815
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2nc(CC3C[C@H]3c3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C22H21N7/c1-12-11-24-13(2)21-25-19(27-29(12)21)10-14-9-16(14)22-26-20-15-5-4-8-23-17(15)6-7-18(20)28(22)3/h4-8,11,14,16H,9-10H2,1-3H3/t14?,16-/m1/s1
InChIKeyCLBXZYPTAMBVKC-BZSJEYESSA-N
XLogP3.52
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline (CID 126557815) is 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline is Cc1ncc(C)n2nc(CC3C[C@H]3c3nc4c5cccnc5ccc4n3C)nc12.
What is the InChIKey of 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is CLBXZYPTAMBVKC-BZSJEYESSA-N. The full InChI is InChI=1S/C22H21N7/c1-12-11-24-13(2)21-25-19(27-29(12)21)10-14-9-16(14)22-26-20-15-5-4-8-23-17(15)6-7-18(20)28(22)3/h4-8,11,14,16H,9-10H2,1-3H3/t14?,16-/m1/s1.
What are the key properties of 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline?
2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 383.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]cyclopropyl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 126557815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).