2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide

C21H25N5O3 — CID 90119441

IUPAC2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)cnc1OCC1CC1
InChIInChI=1S/C21H25N5O3/c1-14-9-16(10-24-21(14)29-13-15-3-4-15)11-26-12-17-18(25-26)5-7-22-19(17)20(28)23-6-2-8-27/h5,7,9-10,12,15,27H,2-4,6,8,11,13H2,1H3,(H,23,28)
InChIKeyXWUYTLMNIMZDMU-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.08
Rot. Bonds9

About 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide

2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119441) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90119441
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)cnc1OCC1CC1
InChIInChI=1S/C21H25N5O3/c1-14-9-16(10-24-21(14)29-13-15-3-4-15)11-26-12-17-18(25-26)5-7-22-19(17)20(28)23-6-2-8-27/h5,7,9-10,12,15,27H,2-4,6,8,11,13H2,1H3,(H,23,28)
InChIKeyXWUYTLMNIMZDMU-UHFFFAOYSA-N
XLogP2.08
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119441) is 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCCO)nccc3n2)cnc1OCC1CC1.
What is the InChIKey of 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is XWUYTLMNIMZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-9-16(10-24-21(14)29-13-15-3-4-15)11-26-12-17-18(25-26)5-7-22-19(17)20(28)23-6-2-8-27/h5,7,9-10,12,15,27H,2-4,6,8,11,13H2,1H3,(H,23,28).
What are the key properties of 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide?
2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopropylmethoxy)-5-methyl-3-pyridinyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).