2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide

C27H39N5O2 — CID 69133266

IUPAC2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
SMILESCN1C(=O)C(N2CCc3[nH]ncc3C2)=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(N)=O)C3CC[C@@H]12
InChIInChI=1S/C27H39N5O2/c1-26-10-8-20-18(19(26)6-4-17(26)12-24(28)33)5-7-23-27(20,2)13-22(25(34)31(23)3)32-11-9-21-16(15-32)14-29-30-21/h13-14,17-20,23H,4-12,15H2,1-3H3,(H2,28,33)(H,29,30)/t17-,18?,19?,20?,23-,26-,27-/m1/s1
InChIKeyVAXSLWYGSGMFFJ-JJSLKRKQSA-N
MW465.64 g/mol
LogP3.23
Rot. Bonds3

About 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide

2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide (PubChem CID 69133266) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
PubChem CID69133266
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
SMILESCN1C(=O)C(N2CCc3[nH]ncc3C2)=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(N)=O)C3CC[C@@H]12
InChIInChI=1S/C27H39N5O2/c1-26-10-8-20-18(19(26)6-4-17(26)12-24(28)33)5-7-23-27(20,2)13-22(25(34)31(23)3)32-11-9-21-16(15-32)14-29-30-21/h13-14,17-20,23H,4-12,15H2,1-3H3,(H2,28,33)(H,29,30)/t17-,18?,19?,20?,23-,26-,27-/m1/s1
InChIKeyVAXSLWYGSGMFFJ-JJSLKRKQSA-N
XLogP3.23
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
The IUPAC name of 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide (CID 69133266) is 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide.
What is the SMILES notation for 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
The canonical SMILES for 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide is CN1C(=O)C(N2CCc3[nH]ncc3C2)=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4CC(N)=O)C3CC[C@@H]12.
What is the InChIKey of 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
The InChIKey is VAXSLWYGSGMFFJ-JJSLKRKQSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-26-10-8-20-18(19(26)6-4-17(26)12-24(28)33)5-7-23-27(20,2)13-22(25(34)31(23)3)32-11-9-21-16(15-32)14-29-30-21/h13-14,17-20,23H,4-12,15H2,1-3H3,(H2,28,33)(H,29,30)/t17-,18?,19?,20?,23-,26-,27-/m1/s1.
What are the key properties of 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?
2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide has a molecular weight of 465.64 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5aR,9aS,11aR)-6,9a,11a-trimethyl-7-oxo-8-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide is sourced from PubChem (CID 69133266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).