1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C22H25N5O2 — CID 53018310

IUPAC1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccnc2)CC3)cc1
InChIInChI=1S/C22H25N5O2/c1-16-5-7-17(8-6-16)14-29-15-20-19-13-27(11-9-21(19)26(2)25-20)22(28)24-18-4-3-10-23-12-18/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,24,28)
InChIKeyBYEWKKKVWKUVJB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.43
Rot. Bonds5

About 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018310) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018310
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccnc2)CC3)cc1
InChIInChI=1S/C22H25N5O2/c1-16-5-7-17(8-6-16)14-29-15-20-19-13-27(11-9-21(19)26(2)25-20)22(28)24-18-4-3-10-23-12-18/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,24,28)
InChIKeyBYEWKKKVWKUVJB-UHFFFAOYSA-N
XLogP3.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018310) is 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccnc2)CC3)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BYEWKKKVWKUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-5-7-17(8-6-16)14-29-15-20-19-13-27(11-9-21(19)26(2)25-20)22(28)24-18-4-3-10-23-12-18/h3-8,10,12H,9,11,13-15H2,1-2H3,(H,24,28).
What are the key properties of 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylphenyl)methoxymethyl]-N-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).