N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H27N5O — CID 119039115

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C22H27N5O/c1-16-11-19(20-12-23-26(3)21(20)24-16)22(28)25(2)13-18-9-10-27(15-18)14-17-7-5-4-6-8-17/h4-8,11-12,18H,9-10,13-15H2,1-3H3
InChIKeyKVNFSXHLVLXGCQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.87
Rot. Bonds5

About N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119039115) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119039115
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C22H27N5O/c1-16-11-19(20-12-23-26(3)21(20)24-16)22(28)25(2)13-18-9-10-27(15-18)14-17-7-5-4-6-8-17/h4-8,11-12,18H,9-10,13-15H2,1-3H3
InChIKeyKVNFSXHLVLXGCQ-UHFFFAOYSA-N
XLogP2.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 124608841
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-chloro-N-methylpyrimidine-4-carboxamide
CID 124609847
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97147365
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46650100
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119039115) is N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is KVNFSXHLVLXGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-11-19(20-12-23-26(3)21(20)24-16)22(28)25(2)13-18-9-10-27(15-18)14-17-7-5-4-6-8-17/h4-8,11-12,18H,9-10,13-15H2,1-3H3.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119039115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).