N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide

C23H30N6O — CID 162385160

IUPACN-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CCCn3nc(-c4cnc5[nH]cc(CC)c5c4)cc32)CC1
InChIInChI=1S/C23H30N6O/c1-3-16-14-25-21-18(16)12-17(15-26-21)19-13-20-23(6-5-9-29(20)27-19)7-10-28(11-8-23)22(30)24-4-2/h12-15H,3-11H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyOLHGGFQAHWIHME-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.85
Rot. Bonds3

About N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide

N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 162385160) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide
PubChem CID162385160
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CCCn3nc(-c4cnc5[nH]cc(CC)c5c4)cc32)CC1
InChIInChI=1S/C23H30N6O/c1-3-16-14-25-21-18(16)12-17(15-26-21)19-13-20-23(6-5-9-29(20)27-19)7-10-28(11-8-23)22(30)24-4-2/h12-15H,3-11H2,1-2H3,(H,24,30)(H,25,26)
InChIKeyOLHGGFQAHWIHME-UHFFFAOYSA-N
XLogP3.85
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-tert-butyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692261
N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
CID 175692158
2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1'-(1H-imidazol-2-ylmethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]
CID 162385182
(4R)-2-[6-amino-5-(2-fluorophenyl)-3-pyridinyl]-N-ethylspiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,3'-pyrrolidine]-1'-carboxamide
CID 175779934
2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859817
2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
CID 175779917
(4S)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858927
2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859438
N-ethyl-2-(6-fluoroquinolin-3-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692242
2-(6-amino-5-phenylmethoxy-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859463
2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858958
2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859442

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide (CID 162385160) is N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide is CCNC(=O)N1CCC2(CCCn3nc(-c4cnc5[nH]cc(CC)c5c4)cc32)CC1.
What is the InChIKey of N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is OLHGGFQAHWIHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-16-14-25-21-18(16)12-17(15-26-21)19-13-20-23(6-5-9-29(20)27-19)7-10-28(11-8-23)22(30)24-4-2/h12-15H,3-11H2,1-2H3,(H,24,30)(H,25,26).
What are the key properties of N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide?
N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)spiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 162385160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).