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

C24H30N8OS — CID 87944601

IUPAC5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCOC(C)C)CC4)ccn3)sc2n1
InChIInChI=1S/C24H30N8OS/c1-16(2)33-13-12-31-8-10-32(11-9-31)18-6-7-25-22(14-18)29-24-28-21-5-4-20(27-23(21)34-24)19-15-26-30-17(19)3/h4-7,14-16H,8-13H2,1-3H3,(H,26,30)(H,25,28,29)
InChIKeyAGVGWCFRCOMKEN-UHFFFAOYSA-N
MW478.63 g/mol
LogP4.08
Rot. Bonds8

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

5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87944601) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-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-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87944601
Molecular FormulaC24H30N8OS
Molecular Weight478.63 g/mol
Exact Mass478.23
IUPAC Name5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCOC(C)C)CC4)ccn3)sc2n1
InChIInChI=1S/C24H30N8OS/c1-16(2)33-13-12-31-8-10-32(11-9-31)18-6-7-25-22(14-18)29-24-28-21-5-4-20(27-23(21)34-24)19-15-26-30-17(19)3/h4-7,14-16H,8-13H2,1-3H3,(H,26,30)(H,25,28,29)
InChIKeyAGVGWCFRCOMKEN-UHFFFAOYSA-N
XLogP4.08
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 54.08
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-(2-propan-2-yloxyethyl)piperazin-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-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87944601) is 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-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-(2-propan-2-yloxyethyl)piperazin-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-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCOC(C)C)CC4)ccn3)sc2n1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is AGVGWCFRCOMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8OS/c1-16(2)33-13-12-31-8-10-32(11-9-31)18-6-7-25-22(14-18)29-24-28-21-5-4-20(27-23(21)34-24)19-15-26-30-17(19)3/h4-7,14-16H,8-13H2,1-3H3,(H,26,30)(H,25,28,29).
What are the key properties of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 478.63 g/mol, XLogP of 4.08, 8 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-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87944601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).