6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide

C32H34N10OS2 — CID 175795093

IUPAC6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide
SMILESCn1cc(C2=C(c3cnc4nc(N5CCCCC5)sc4c3)C=CC(C(N)=O)(c3cnc4nc(N5CCCCC5)sc4c3)N2)cn1
InChIInChI=1S/C32H34N10OS2/c1-40-19-21(17-36-40)26-23(20-14-24-27(34-16-20)37-30(44-24)41-10-4-2-5-11-41)8-9-32(39-26,29(33)43)22-15-25-28(35-18-22)38-31(45-25)42-12-6-3-7-13-42/h8-9,14-19,39H,2-7,10-13H2,1H3,(H2,33,43)
InChIKeyQNNNGZYJWQKYNI-UHFFFAOYSA-N
MW638.83 g/mol
LogP4.82
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide

6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide (PubChem CID 175795093) has the molecular formula C32H34N10OS2 and a molecular weight of 638.83 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide
PubChem CID175795093
Molecular FormulaC32H34N10OS2
Molecular Weight638.83 g/mol
Exact Mass638.24
IUPAC Name6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide
SMILESCn1cc(C2=C(c3cnc4nc(N5CCCCC5)sc4c3)C=CC(C(N)=O)(c3cnc4nc(N5CCCCC5)sc4c3)N2)cn1
InChIInChI=1S/C32H34N10OS2/c1-40-19-21(17-36-40)26-23(20-14-24-27(34-16-20)37-30(44-24)41-10-4-2-5-11-41)8-9-32(39-26,29(33)43)22-15-25-28(35-18-22)38-31(45-25)42-12-6-3-7-13-42/h8-9,14-19,39H,2-7,10-13H2,1H3,(H2,33,43)
InChIKeyQNNNGZYJWQKYNI-UHFFFAOYSA-N
XLogP4.82
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.83
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide (CID 175795093) is 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide is Cn1cc(C2=C(c3cnc4nc(N5CCCCC5)sc4c3)C=CC(C(N)=O)(c3cnc4nc(N5CCCCC5)sc4c3)N2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide?
The InChIKey is QNNNGZYJWQKYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N10OS2/c1-40-19-21(17-36-40)26-23(20-14-24-27(34-16-20)37-30(44-24)41-10-4-2-5-11-41)8-9-32(39-26,29(33)43)22-15-25-28(35-18-22)38-31(45-25)42-12-6-3-7-13-42/h8-9,14-19,39H,2-7,10-13H2,1H3,(H2,33,43).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide?
6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide has a molecular weight of 638.83 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2,5-bis(2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 175795093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).