3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C20H23N7O — CID 43042101

IUPAC3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1nnc2ccccn12
InChIInChI=1S/C20H23N7O/c1-12-15(13(2)22-20-19(12)14(3)25-26(20)4)8-9-18(28)21-11-17-24-23-16-7-5-6-10-27(16)17/h5-7,10H,8-9,11H2,1-4H3,(H,21,28)
InChIKeyJZFGSAIYYMZHQP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.19
Rot. Bonds5

About 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 43042101) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID43042101
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1nnc2ccccn12
InChIInChI=1S/C20H23N7O/c1-12-15(13(2)22-20-19(12)14(3)25-26(20)4)8-9-18(28)21-11-17-24-23-16-7-5-6-10-27(16)17/h5-7,10H,8-9,11H2,1-4H3,(H,21,28)
InChIKeyJZFGSAIYYMZHQP-UHFFFAOYSA-N
XLogP2.19
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615848
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615799
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 41331796
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
CID 24620085
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604253
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
N-[2-(3-chlorophenyl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24665768
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 43042101) is 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1nnc2ccccn12.
What is the InChIKey of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is JZFGSAIYYMZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-12-15(13(2)22-20-19(12)14(3)25-26(20)4)8-9-18(28)21-11-17-24-23-16-7-5-6-10-27(16)17/h5-7,10H,8-9,11H2,1-4H3,(H,21,28).
What are the key properties of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 43042101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).