5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C21H28N6O2 — CID 10216099

IUPAC5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCC1CCCN(CCCOc2ccc3[nH]cc(C(=O)Nc4ccn(C)n4)c3n2)C1
InChIInChI=1S/C21H28N6O2/c1-15-5-3-9-27(14-15)10-4-12-29-19-7-6-17-20(24-19)16(13-22-17)21(28)23-18-8-11-26(2)25-18/h6-8,11,13,15,22H,3-5,9-10,12,14H2,1-2H3,(H,23,25,28)
InChIKeyQCXVLAUQHHKNRU-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.05
Rot. Bonds7

About 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 10216099) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID10216099
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCC1CCCN(CCCOc2ccc3[nH]cc(C(=O)Nc4ccn(C)n4)c3n2)C1
InChIInChI=1S/C21H28N6O2/c1-15-5-3-9-27(14-15)10-4-12-29-19-7-6-17-20(24-19)16(13-22-17)21(28)23-18-8-11-26(2)25-18/h6-8,11,13,15,22H,3-5,9-10,12,14H2,1-2H3,(H,23,25,28)
InChIKeyQCXVLAUQHHKNRU-UHFFFAOYSA-N
XLogP3.05
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754129
N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 91041581
5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10149937
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10286832
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
5-methoxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10236284
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 10216099) is 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CC1CCCN(CCCOc2ccc3[nH]cc(C(=O)Nc4ccn(C)n4)c3n2)C1.
What is the InChIKey of 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is QCXVLAUQHHKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-15-5-3-9-27(14-15)10-4-12-29-19-7-6-17-20(24-19)16(13-22-17)21(28)23-18-8-11-26(2)25-18/h6-8,11,13,15,22H,3-5,9-10,12,14H2,1-2H3,(H,23,25,28).
What are the key properties of 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 10216099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).