N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine

C24H25N7S — CID 90964953

IUPACN-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine
SMILESCc1sc(CNC(CN)c2ccccc2)nc1-c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C24H25N7S/c1-16-24(29-23(32-16)13-26-21(10-25)17-6-4-3-5-7-17)20-12-28-31-15-18(8-9-22(20)31)19-11-27-30(2)14-19/h3-9,11-12,14-15,21,26H,10,13,25H2,1-2H3
InChIKeyMUSKUBVVZSAOKI-UHFFFAOYSA-N
MW443.58 g/mol
LogP3.96
Rot. Bonds7

About N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine

N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine (PubChem CID 90964953) has the molecular formula C24H25N7S and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine
PubChem CID90964953
Molecular FormulaC24H25N7S
Molecular Weight443.58 g/mol
Exact Mass443.19
IUPAC NameN-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine
SMILESCc1sc(CNC(CN)c2ccccc2)nc1-c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C24H25N7S/c1-16-24(29-23(32-16)13-26-21(10-25)17-6-4-3-5-7-17)20-12-28-31-15-18(8-9-22(20)31)19-11-27-30(2)14-19/h3-9,11-12,14-15,21,26H,10,13,25H2,1-2H3
InChIKeyMUSKUBVVZSAOKI-UHFFFAOYSA-N
XLogP3.96
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine (CID 90964953) is N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine is Cc1sc(CNC(CN)c2ccccc2)nc1-c1cnn2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine?
The InChIKey is MUSKUBVVZSAOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7S/c1-16-24(29-23(32-16)13-26-21(10-25)17-6-4-3-5-7-17)20-12-28-31-15-18(8-9-22(20)31)19-11-27-30(2)14-19/h3-9,11-12,14-15,21,26H,10,13,25H2,1-2H3.
What are the key properties of N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine?
N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine has a molecular weight of 443.58 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 90964953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).