[(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

C23H29N3O3 — CID 146076941

IUPAC[(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
SMILESCCn1nc2c(c1C(=O)N1CC=C(c3ccc(OC)cc3)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C23H29N3O3/c1-5-26-22(20-14-15(2)29-16(3)21(20)24-26)23(27)25-12-10-18(11-13-25)17-6-8-19(28-4)9-7-17/h6-10,15-16H,5,11-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyYVHSRZRSRLGJOG-JKSUJKDBSA-N
MW395.50 g/mol
LogP3.86
Rot. Bonds4

About [(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

[(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 (PubChem CID 146076941) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID146076941
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[(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
SMILESCCn1nc2c(c1C(=O)N1CC=C(c3ccc(OC)cc3)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C23H29N3O3/c1-5-26-22(20-14-15(2)29-16(3)21(20)24-26)23(27)25-12-10-18(11-13-25)17-6-8-19(28-4)9-7-17/h6-10,15-16H,5,11-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyYVHSRZRSRLGJOG-JKSUJKDBSA-N
XLogP3.86
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100159
[4-(dimethylamino)piperidin-1-yl]-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100155
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 146100332
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
3-[1-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]azetidin-3-yl]oxybenzonitrile
CID 146100323
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 146100288
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146115384
4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
CID 146093697
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
CID 146093600
(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100140
(5S,7R)-2-ethyl-5,7-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100267

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCn1nc2c(c1C(=O)N1CC=C(c3ccc(OC)cc3)CC1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of [(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?
The InChIKey is YVHSRZRSRLGJOG-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-26-22(20-14-15(2)29-16(3)21(20)24-26)23(27)25-12-10-18(11-13-25)17-6-8-19(28-4)9-7-17/h6-10,15-16H,5,11-14H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 395.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 146076941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).