1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea

C22H24N8OS — CID 121416760

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC4CCCN(Cc5nccs5)C4)ncc32)ccn1
InChIInChI=1S/C22H24N8OS/c1-15-9-18(4-5-23-15)30-19-12-25-20(10-16(19)11-26-30)28-22(31)27-17-3-2-7-29(13-17)14-21-24-6-8-32-21/h4-6,8-12,17H,2-3,7,13-14H2,1H3,(H2,25,27,28,31)
InChIKeyIVOLLFSFNQDSQT-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.37
Rot. Bonds5

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea (PubChem CID 121416760) has the molecular formula C22H24N8OS and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea
PubChem CID121416760
Molecular FormulaC22H24N8OS
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC4CCCN(Cc5nccs5)C4)ncc32)ccn1
InChIInChI=1S/C22H24N8OS/c1-15-9-18(4-5-23-15)30-19-12-25-20(10-16(19)11-26-30)28-22(31)27-17-3-2-7-29(13-17)14-21-24-6-8-32-21/h4-6,8-12,17H,2-3,7,13-14H2,1H3,(H2,25,27,28,31)
InChIKeyIVOLLFSFNQDSQT-UHFFFAOYSA-N
XLogP3.37
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea (CID 121416760) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)NC4CCCN(Cc5nccs5)C4)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea?
The InChIKey is IVOLLFSFNQDSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS/c1-15-9-18(4-5-23-15)30-19-12-25-20(10-16(19)11-26-30)28-22(31)27-17-3-2-7-29(13-17)14-21-24-6-8-32-21/h4-6,8-12,17H,2-3,7,13-14H2,1H3,(H2,25,27,28,31).
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea has a molecular weight of 448.56 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]urea is sourced from PubChem (CID 121416760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).