N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine

C20H21N7 — CID 118504173

IUPACN-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)Cc1cnnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C20H21N7/c1-13(2)6-14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)8-15(10-21-17)16-11-23-27(3)12-16/h4-5,7-13H,6H2,1-3H3,(H,24,25,26)
InChIKeyJMYLMFQHHIZHKE-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.76
Rot. Bonds5

About N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine

N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine (PubChem CID 118504173) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
PubChem CID118504173
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)Cc1cnnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C20H21N7/c1-13(2)6-14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)8-15(10-21-17)16-11-23-27(3)12-16/h4-5,7-13H,6H2,1-3H3,(H,24,25,26)
InChIKeyJMYLMFQHHIZHKE-UHFFFAOYSA-N
XLogP3.76
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(1,3-dimethylpyrazol-4-yl)-N-[5-(2-methylpropyl)pyridazin-3-yl]-1,5-naphthyridin-2-amine
CID 118504254
N-(5-tert-butylpyridazin-3-yl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504129
7-(1-methylpyrazol-4-yl)-N-(4-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118510313
N-[5-(cyclohexylmethyl)pyridazin-3-yl]-7-[1-[2-(1-propan-2-ylazetidin-3-yl)oxyethyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90289503
5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90287896
7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289058
7-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine
CID 118497430
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine
CID 118497376
7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288411
N-[(4-fluorophenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184265
7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-pentan-3-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289234
7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 160824198

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine (CID 118504173) is N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine is CC(C)Cc1cnnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)c1.
What is the InChIKey of N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The InChIKey is JMYLMFQHHIZHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-13(2)6-14-7-20(26-22-9-14)25-19-5-4-17-18(24-19)8-15(10-21-17)16-11-23-27(3)12-16/h4-5,7-13H,6H2,1-3H3,(H,24,25,26).
What are the key properties of N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118504173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).