N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine

C21H16N6S — CID 155528265

IUPACN-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(-c2n[nH]c3cc(Nc4ncc(-c5ccccc5)s4)ncc23)ccn1
InChIInChI=1S/C21H16N6S/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21-24-12-18(28-21)14-5-3-2-4-6-14/h2-12H,1H3,(H,26,27)(H,23,24,25)
InChIKeyUHDHYFZPJFOUQF-UHFFFAOYSA-N
MW384.47 g/mol
LogP5.20
Rot. Bonds4

About N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine

N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine (PubChem CID 155528265) has the molecular formula C21H16N6S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine
PubChem CID155528265
Molecular FormulaC21H16N6S
Molecular Weight384.47 g/mol
Exact Mass384.12
IUPAC NameN-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(-c2n[nH]c3cc(Nc4ncc(-c5ccccc5)s4)ncc23)ccn1
InChIInChI=1S/C21H16N6S/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21-24-12-18(28-21)14-5-3-2-4-6-14/h2-12H,1H3,(H,26,27)(H,23,24,25)
InChIKeyUHDHYFZPJFOUQF-UHFFFAOYSA-N
XLogP5.20
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine (CID 155528265) is N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine is Cc1cc(-c2n[nH]c3cc(Nc4ncc(-c5ccccc5)s4)ncc23)ccn1.
What is the InChIKey of N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is UHDHYFZPJFOUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6S/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21-24-12-18(28-21)14-5-3-2-4-6-14/h2-12H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine?
N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 384.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155528265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).