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

C17H17N7S — CID 118497376

IUPACN-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C17H17N7S/c1-3-4-16-22-23-17(25-16)21-15-6-5-13-14(20-15)7-11(8-18-13)12-9-19-24(2)10-12/h5-10H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyPHKFXWJVZPGGOY-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.58
Rot. Bonds5

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

N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 118497376) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID118497376
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1
InChIInChI=1S/C17H17N7S/c1-3-4-16-22-23-17(25-16)21-15-6-5-13-14(20-15)7-11(8-18-13)12-9-19-24(2)10-12/h5-10H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyPHKFXWJVZPGGOY-UHFFFAOYSA-N
XLogP3.58
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90287896
ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 90287809
5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
CID 118497468
N-[7-(3-butyl-1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 90287943
7-(1-methylpyrazol-4-yl)-N-(4-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118510313
N-(5-tert-butylpyridazin-3-yl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504129
7-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine
CID 118497430
N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504173
N-[(4-fluorophenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184265
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288273
7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
CID 90288925
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine
CID 118503944

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine (CID 118497376) is N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)s1.
What is the InChIKey of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PHKFXWJVZPGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-3-4-16-22-23-17(25-16)21-15-6-5-13-14(20-15)7-11(8-18-13)12-9-19-24(2)10-12/h5-10H,3-4H2,1-2H3,(H,20,21,23).
What are the key properties of N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine?
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 351.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).