(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C22H27N3O3 — CID 146110895

IUPAC(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCOc1ccc2c(c1)C1(CC1)CN(C(=O)c1nn(C)c3c1C[C@H](C)O[C@@H]3C)C2
InChIInChI=1S/C22H27N3O3/c1-13-9-17-19(23-24(3)20(17)14(2)28-13)21(26)25-11-15-5-6-16(27-4)10-18(15)22(12-25)7-8-22/h5-6,10,13-14H,7-9,11-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyYGRUVYJLEXMTRW-UONOGXRCSA-N
MW381.48 g/mol
LogP3.14
Rot. Bonds2

About (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146110895) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146110895
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCOc1ccc2c(c1)C1(CC1)CN(C(=O)c1nn(C)c3c1C[C@H](C)O[C@@H]3C)C2
InChIInChI=1S/C22H27N3O3/c1-13-9-17-19(23-24(3)20(17)14(2)28-13)21(26)25-11-15-5-6-16(27-4)10-18(15)22(12-25)7-8-22/h5-6,10,13-14H,7-9,11-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyYGRUVYJLEXMTRW-UONOGXRCSA-N
XLogP3.14
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Related Compounds

[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111095
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101131
[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111105
(5R,7S)-1,5,7-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113712
(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110793
1-[(5S,7R)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]-N-methylazetidine-3-carboxamide
CID 146110802
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 146102968
(5R,7S)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093329
(5S,7R)-N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110950
(5R,7S)-N-[(4-cyanophenyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101148
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759699

Frequently Asked Questions

What is the IUPAC name of (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146110895) is (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is COc1ccc2c(c1)C1(CC1)CN(C(=O)c1nn(C)c3c1C[C@H](C)O[C@@H]3C)C2.
What is the InChIKey of (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is YGRUVYJLEXMTRW-UONOGXRCSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-13-9-17-19(23-24(3)20(17)14(2)28-13)21(26)25-11-15-5-6-16(27-4)10-18(15)22(12-25)7-8-22/h5-6,10,13-14H,7-9,11-12H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146110895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).