(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C20H25N3O2 — CID 146100556

IUPAC(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCc1ccc2c(c1)CN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)CC2
InChIInChI=1S/C20H25N3O2/c1-12-5-6-15-7-8-23(11-16(15)9-12)20(24)19-17-10-13(2)25-14(3)18(17)21-22(19)4/h5-6,9,13-14H,7-8,10-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyHJLRTSSGJCJWMJ-KGLIPLIRSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds1

About (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146100556) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146100556
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESCc1ccc2c(c1)CN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)CC2
InChIInChI=1S/C20H25N3O2/c1-12-5-6-15-7-8-23(11-16(15)9-12)20(24)19-17-10-13(2)25-14(3)18(17)21-22(19)4/h5-6,9,13-14H,7-8,10-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyHJLRTSSGJCJWMJ-KGLIPLIRSA-N
XLogP2.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-(dimethylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093592
1-(3-fluorophenyl)-4-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]piperazin-2-one
CID 146093531
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100536
(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 167795253
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076388
methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 20871848
2-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 122108371
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146076941
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(8-fluoro-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 154802091
2-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 146111491
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113

Frequently Asked Questions

What is the IUPAC name of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146100556) is (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is Cc1ccc2c(c1)CN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)CC2.
What is the InChIKey of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is HJLRTSSGJCJWMJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-5-6-15-7-8-23(11-16(15)9-12)20(24)19-17-10-13(2)25-14(3)18(17)21-22(19)4/h5-6,9,13-14H,7-8,10-11H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146100556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).