(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C15H16ClN7O — CID 97444504

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3Cc4nnc(C)n4[C@H](C)C3)nn2c1
InChIInChI=1S/C15H16ClN7O/c1-8-4-17-14-12(16)13(20-22(14)5-8)15(24)21-6-9(2)23-10(3)18-19-11(23)7-21/h4-5,9H,6-7H2,1-3H3/t9-/m1/s1
InChIKeyNGTZMWPAVZPAKG-SECBINFHSA-N
MW345.79 g/mol
LogP1.81
Rot. Bonds1

About (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 97444504) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID97444504
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3Cc4nnc(C)n4[C@H](C)C3)nn2c1
InChIInChI=1S/C15H16ClN7O/c1-8-4-17-14-12(16)13(20-22(14)5-8)15(24)21-6-9(2)23-10(3)18-19-11(23)7-21/h4-5,9H,6-7H2,1-3H3/t9-/m1/s1
InChIKeyNGTZMWPAVZPAKG-SECBINFHSA-N
XLogP1.81
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-(2-propyl-2,5-dihydropyrrol-1-yl)methanone
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3-chloro-N,6-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 97124608
3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77083829
[(5S)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-ethylsulfanylthiophen-2-yl)methanone
CID 97445851
3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118795094
1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175644584
3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91762320
(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
CID 72889339
(6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]methanone
CID 156518078
[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 164696986
(2-methoxy-3-pyridinyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172659988

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 97444504) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1cnc2c(Cl)c(C(=O)N3Cc4nnc(C)n4[C@H](C)C3)nn2c1.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is NGTZMWPAVZPAKG-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClN7O/c1-8-4-17-14-12(16)13(20-22(14)5-8)15(24)21-6-9(2)23-10(3)18-19-11(23)7-21/h4-5,9H,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 345.79 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[(5R)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97444504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).