5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

C22H26N8O2S2 — CID 87945567

IUPAC5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(S(=O)(=O)C(C)C)CC4)ccn3)sc2n1
InChIInChI=1S/C22H26N8O2S2/c1-14(2)34(31,32)30-10-8-29(9-11-30)16-6-7-23-20(12-16)27-22-26-19-5-4-18(25-21(19)33-22)17-13-24-28-15(17)3/h4-7,12-14H,8-11H2,1-3H3,(H,24,28)(H,23,26,27)
InChIKeyAQDBZZCTYQIRON-UHFFFAOYSA-N
MW498.64 g/mol
LogP3.39
Rot. Bonds6

About 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945567) has the molecular formula C22H26N8O2S2 and a molecular weight of 498.64 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945567
Molecular FormulaC22H26N8O2S2
Molecular Weight498.64 g/mol
Exact Mass498.16
IUPAC Name5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(S(=O)(=O)C(C)C)CC4)ccn3)sc2n1
InChIInChI=1S/C22H26N8O2S2/c1-14(2)34(31,32)30-10-8-29(9-11-30)16-6-7-23-20(12-16)27-22-26-19-5-4-18(25-21(19)33-22)17-13-24-28-15(17)3/h4-7,12-14H,8-11H2,1-3H3,(H,24,28)(H,23,26,27)
InChIKeyAQDBZZCTYQIRON-UHFFFAOYSA-N
XLogP3.39
TPSA120.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.64
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945567) is 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(S(=O)(=O)C(C)C)CC4)ccn3)sc2n1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is AQDBZZCTYQIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2S2/c1-14(2)34(31,32)30-10-8-29(9-11-30)16-6-7-23-20(12-16)27-22-26-19-5-4-18(25-21(19)33-22)17-13-24-28-15(17)3/h4-7,12-14H,8-11H2,1-3H3,(H,24,28)(H,23,26,27).
What are the key properties of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 498.64 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).