3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide

C19H22N6O — CID 166305429

IUPAC3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide
SMILESCc1nc2ncccc2cc1CCC(=O)NCc1cnn2c1CNCC2
InChIInChI=1S/C19H22N6O/c1-13-14(9-15-3-2-6-21-19(15)24-13)4-5-18(26)22-10-16-11-23-25-8-7-20-12-17(16)25/h2-3,6,9,11,20H,4-5,7-8,10,12H2,1H3,(H,22,26)
InChIKeyITZFHUFQSBTDFI-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.49
Rot. Bonds5

About 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide

3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide (PubChem CID 166305429) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide
PubChem CID166305429
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide
SMILESCc1nc2ncccc2cc1CCC(=O)NCc1cnn2c1CNCC2
InChIInChI=1S/C19H22N6O/c1-13-14(9-15-3-2-6-21-19(15)24-13)4-5-18(26)22-10-16-11-23-25-8-7-20-12-17(16)25/h2-3,6,9,11,20H,4-5,7-8,10,12H2,1H3,(H,22,26)
InChIKeyITZFHUFQSBTDFI-UHFFFAOYSA-N
XLogP1.49
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyl-1,8-naphthyridin-3-yl)-N-piperidin-4-ylsulfonylpropanamide
CID 167986336
5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide
CID 166305430
(1S,2S,4R,5R)-4-[3-(2-methyl-1,8-naphthyridin-3-yl)propanoylamino]bicyclo[3.1.0]hexane-2-carboxylic acid
CID 166307488
4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide
CID 167962010
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide
CID 167881079
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70722632
N-(quinolin-8-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 71883233
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154895023
N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 130559980
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893788

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide (CID 166305429) is 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide is Cc1nc2ncccc2cc1CCC(=O)NCc1cnn2c1CNCC2.
What is the InChIKey of 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide?
The InChIKey is ITZFHUFQSBTDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-14(9-15-3-2-6-21-19(15)24-13)4-5-18(26)22-10-16-11-23-25-8-7-20-12-17(16)25/h2-3,6,9,11,20H,4-5,7-8,10,12H2,1H3,(H,22,26).
What are the key properties of 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide?
3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide has a molecular weight of 350.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,8-naphthyridin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)propanamide is sourced from PubChem (CID 166305429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).