(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C25H29N5O2 — CID 92866348

IUPAC(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ncnc5oc(C)c(C)c45)C3)c2c1
InChIInChI=1S/C25H29N5O2/c1-15-6-7-21-20(11-15)18(12-27-21)8-9-26-24(31)19-5-4-10-30(13-19)23-22-16(2)17(3)32-25(22)29-14-28-23/h6-7,11-12,14,19,27H,4-5,8-10,13H2,1-3H3,(H,26,31)/t19-/m0/s1
InChIKeyUSBSQYFPTICMDE-IBGZPJMESA-N
MW431.54 g/mol
LogP4.20
Rot. Bonds5

About (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 92866348) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID92866348
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ncnc5oc(C)c(C)c45)C3)c2c1
InChIInChI=1S/C25H29N5O2/c1-15-6-7-21-20(11-15)18(12-27-21)8-9-26-24(31)19-5-4-10-30(13-19)23-22-16(2)17(3)32-25(22)29-14-28-23/h6-7,11-12,14,19,27H,4-5,8-10,13H2,1-3H3,(H,26,31)/t19-/m0/s1
InChIKeyUSBSQYFPTICMDE-IBGZPJMESA-N
XLogP4.20
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide 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

(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866343
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46289938
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 92866265
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 46290089
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 92866359
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92866358
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 92866348) is (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ncnc5oc(C)c(C)c45)C3)c2c1.
What is the InChIKey of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is USBSQYFPTICMDE-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N5O2/c1-15-6-7-21-20(11-15)18(12-27-21)8-9-26-24(31)19-5-4-10-30(13-19)23-22-16(2)17(3)32-25(22)29-14-28-23/h6-7,11-12,14,19,27H,4-5,8-10,13H2,1-3H3,(H,26,31)/t19-/m0/s1.
What are the key properties of (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).