N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H27N5O — CID 56866510

IUPACN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)c3n[nH]c4c3CN(C)CC4)cc(C)cc2c1C
InChIInChI=1S/C21H27N5O/c1-5-17-13(3)15-9-12(2)8-14(19(15)23-17)10-22-21(27)20-16-11-26(4)7-6-18(16)24-25-20/h8-9,23H,5-7,10-11H2,1-4H3,(H,22,27)(H,24,25)
InChIKeyFDMXAAPPGFEOPB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.99
Rot. Bonds4

About N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 56866510) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID56866510
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)c3n[nH]c4c3CN(C)CC4)cc(C)cc2c1C
InChIInChI=1S/C21H27N5O/c1-5-17-13(3)15-9-12(2)8-14(19(15)23-17)10-22-21(27)20-16-11-26(4)7-6-18(16)24-25-20/h8-9,23H,5-7,10-11H2,1-4H3,(H,22,27)(H,24,25)
InChIKeyFDMXAAPPGFEOPB-UHFFFAOYSA-N
XLogP2.99
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 95551283
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
(6S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95426783
(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
CID 95445277
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238597
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95552184
5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74245673
2-ethyl-4-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,3-oxazole-5-carboxamide
CID 56875403
N-butyl-5-(3,5-dimethylbenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874527
5-(3,5-dimethylbenzoyl)-N-pentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076209
[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56861740

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 56866510) is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCc1[nH]c2c(CNC(=O)c3n[nH]c4c3CN(C)CC4)cc(C)cc2c1C.
What is the InChIKey of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FDMXAAPPGFEOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-5-17-13(3)15-9-12(2)8-14(19(15)23-17)10-22-21(27)20-16-11-26(4)7-6-18(16)24-25-20/h8-9,23H,5-7,10-11H2,1-4H3,(H,22,27)(H,24,25).
What are the key properties of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 56866510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).