1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C15H17N7OS — CID 86808303

IUPAC1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCn1ncc2c(N3CCCC(C(=O)Nc4nccs4)C3)ncnc21
InChIInChI=1S/C15H17N7OS/c1-21-12-11(7-19-21)13(18-9-17-12)22-5-2-3-10(8-22)14(23)20-15-16-4-6-24-15/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,16,20,23)
InChIKeyWGZJZFAEWWABBG-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.67
Rot. Bonds3

About 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 86808303) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID86808303
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCn1ncc2c(N3CCCC(C(=O)Nc4nccs4)C3)ncnc21
InChIInChI=1S/C15H17N7OS/c1-21-12-11(7-19-21)13(18-9-17-12)22-5-2-3-10(8-22)14(23)20-15-16-4-6-24-15/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,16,20,23)
InChIKeyWGZJZFAEWWABBG-UHFFFAOYSA-N
XLogP1.67
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 86808303) is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cn1ncc2c(N3CCCC(C(=O)Nc4nccs4)C3)ncnc21.
What is the InChIKey of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WGZJZFAEWWABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-21-12-11(7-19-21)13(18-9-17-12)22-5-2-3-10(8-22)14(23)20-15-16-4-6-24-15/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,16,20,23).
What are the key properties of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 86808303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).