1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

C24H27N7O3 — CID 118192333

IUPAC1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](N(C)c2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C24H27N7O3/c1-15-9-10-16(29(4)21-20-18(11-12-25-21)24(2,3)34-23(20)33)13-30(15)22(32)17-7-5-6-8-19(17)31-27-14-26-28-31/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t15-,16-/m1/s1
InChIKeyZGPBKGLLZIBGSJ-HZPDHXFCSA-N
MW461.53 g/mol
LogP2.59
Rot. Bonds4

About 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one

1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (PubChem CID 118192333) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
PubChem CID118192333
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one
SMILESC[C@@H]1CC[C@@H](N(C)c2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C24H27N7O3/c1-15-9-10-16(29(4)21-20-18(11-12-25-21)24(2,3)34-23(20)33)13-30(15)22(32)17-7-5-6-8-19(17)31-27-14-26-28-31/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t15-,16-/m1/s1
InChIKeyZGPBKGLLZIBGSJ-HZPDHXFCSA-N
XLogP2.59
TPSA106.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one 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 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The IUPAC name of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one (CID 118192333) is 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is C[C@@H]1CC[C@@H](N(C)c2nccc3c2C(=O)OC3(C)C)CN1C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
The InChIKey is ZGPBKGLLZIBGSJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15-9-10-16(29(4)21-20-18(11-12-25-21)24(2,3)34-23(20)33)13-30(15)22(32)17-7-5-6-8-19(17)31-27-14-26-28-31/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one?
1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one has a molecular weight of 461.53 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-[methyl-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]amino]furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 118192333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).