N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine

C22H20N8S — CID 90288531

IUPACN-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(Cc5cscn5)c4)cc3n2)c1
InChIInChI=1S/C22H20N8S/c1-14(2)15-6-22(29-25-8-15)28-21-4-3-19-20(27-21)5-16(7-23-19)17-9-26-30(10-17)11-18-12-31-13-24-18/h3-10,12-14H,11H2,1-2H3,(H,27,28,29)
InChIKeyASSPEXOUCMKRSZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.66
Rot. Bonds6

About N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine

N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine (PubChem CID 90288531) has the molecular formula C22H20N8S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
PubChem CID90288531
Molecular FormulaC22H20N8S
Molecular Weight428.53 g/mol
Exact Mass428.15
IUPAC NameN-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(Cc5cscn5)c4)cc3n2)c1
InChIInChI=1S/C22H20N8S/c1-14(2)15-6-22(29-25-8-15)28-21-4-3-19-20(27-21)5-16(7-23-19)17-9-26-30(10-17)11-18-12-31-13-24-18/h3-10,12-14H,11H2,1-2H3,(H,27,28,29)
InChIKeyASSPEXOUCMKRSZ-UHFFFAOYSA-N
XLogP4.66
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine (CID 90288531) is N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(Cc5cscn5)c4)cc3n2)c1.
What is the InChIKey of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
The InChIKey is ASSPEXOUCMKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8S/c1-14(2)15-6-22(29-25-8-15)28-21-4-3-19-20(27-21)5-16(7-23-19)17-9-26-30(10-17)11-18-12-31-13-24-18/h3-10,12-14H,11H2,1-2H3,(H,27,28,29).
What are the key properties of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine?
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine has a molecular weight of 428.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).