2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide

C17H21N5O — CID 53145144

IUPAC2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCCn1cc(CCNC(=O)c2ccnn2C)c2cccnc21
InChIInChI=1S/C17H21N5O/c1-3-11-22-12-13(14-5-4-8-18-16(14)22)6-9-19-17(23)15-7-10-20-21(15)2/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3,(H,19,23)
InChIKeyFFSVUGWKWMXBOB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.15
Rot. Bonds6

About 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide

2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 53145144) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
PubChem CID53145144
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCCn1cc(CCNC(=O)c2ccnn2C)c2cccnc21
InChIInChI=1S/C17H21N5O/c1-3-11-22-12-13(14-5-4-8-18-16(14)22)6-9-19-17(23)15-7-10-20-21(15)2/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3,(H,19,23)
InChIKeyFFSVUGWKWMXBOB-UHFFFAOYSA-N
XLogP2.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
(3R)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95095657
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144667
N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162969
6-chloro-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53144962
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
CID 53144971
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide (CID 53145144) is 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide is CCCn1cc(CCNC(=O)c2ccnn2C)c2cccnc21.
What is the InChIKey of 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is FFSVUGWKWMXBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-11-22-12-13(14-5-4-8-18-16(14)22)6-9-19-17(23)15-7-10-20-21(15)2/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3,(H,19,23).
What are the key properties of 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide?
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 53145144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).