N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H26N6O3 — CID 26215805

IUPACN-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2CN(C(=O)c2ccncc2)CC3)cc1
InChIInChI=1S/C27H26N6O3/c1-36-22-7-5-19(6-8-22)16-30-26(34)25-23-18-32(27(35)20-9-13-28-14-10-20)15-11-24(23)33(31-25)17-21-4-2-3-12-29-21/h2-10,12-14H,11,15-18H2,1H3,(H,30,34)
InChIKeyLDACJQKSZZYIHG-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.86
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26215805) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26215805
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2CN(C(=O)c2ccncc2)CC3)cc1
InChIInChI=1S/C27H26N6O3/c1-36-22-7-5-19(6-8-22)16-30-26(34)25-23-18-32(27(35)20-9-13-28-14-10-20)15-11-24(23)33(31-25)17-21-4-2-3-12-29-21/h2-10,12-14H,11,15-18H2,1H3,(H,30,34)
InChIKeyLDACJQKSZZYIHG-UHFFFAOYSA-N
XLogP2.86
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228576
5-[(3-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143228
N-benzyl-1-methyl-5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53027400
[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
CID 26139731
5-benzoyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138413
ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142273
N-benzyl-5-(4-methoxybenzoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873475
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688280
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
ethyl 5-(3-ethyl-1-methylpyrazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220418
N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066624

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26215805) is N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2nn(Cc3ccccn3)c3c2CN(C(=O)c2ccncc2)CC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LDACJQKSZZYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-36-22-7-5-19(6-8-22)16-30-26(34)25-23-18-32(27(35)20-9-13-28-14-10-20)15-11-24(23)33(31-25)17-21-4-2-3-12-29-21/h2-10,12-14H,11,15-18H2,1H3,(H,30,34).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26215805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).