[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone

C20H25N7O — CID 164691661

IUPAC[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cnc2cnn(C)c2c1
InChIInChI=1S/C20H25N7O/c1-12(2)8-17-19-23-18(13-4-5-13)24-27(19)7-6-26(17)20(28)14-9-16-15(21-10-14)11-22-25(16)3/h9-13,17H,4-8H2,1-3H3/t17-/m0/s1
InChIKeyFKNZKELYUPEAFY-KRWDZBQOSA-N
MW379.47 g/mol
LogP2.68
Rot. Bonds4

About [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 164691661) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID164691661
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cnc2cnn(C)c2c1
InChIInChI=1S/C20H25N7O/c1-12(2)8-17-19-23-18(13-4-5-13)24-27(19)7-6-26(17)20(28)14-9-16-15(21-10-14)11-22-25(16)3/h9-13,17H,4-8H2,1-3H3/t17-/m0/s1
InChIKeyFKNZKELYUPEAFY-KRWDZBQOSA-N
XLogP2.68
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone with MolForge

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Related Compounds

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 164692337
(3-chloro-4-methoxyphenyl)-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164696413
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
CID 164698895
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-methoxy-4-pyridinyl)methanone
CID 164693925
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-hydroxycyclobutyl)methanone
CID 164699474
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone
CID 164697146
4-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-quinolin-2-one
CID 165417877
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 164699221
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 164692596
(2R)-2-amino-1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-phenylethanone
CID 165420164
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
CID 164695747
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
CID 164690786

Frequently Asked Questions

What is the IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone (CID 164691661) is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone is CC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cnc2cnn(C)c2c1.
What is the InChIKey of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is FKNZKELYUPEAFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N7O/c1-12(2)8-17-19-23-18(13-4-5-13)24-27(19)7-6-26(17)20(28)14-9-16-15(21-10-14)11-22-25(16)3/h9-13,17H,4-8H2,1-3H3/t17-/m0/s1.
What are the key properties of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone?
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 379.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 164691661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).