2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide

C23H19N7OS — CID 164620026

IUPAC2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide
SMILESCn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cccnc5)cc4)c3s2)cn1
InChIInChI=1S/C23H19N7OS/c1-30-13-16(11-27-30)20-10-19-22(32-20)23(26-14-25-19)29-17-6-4-15(5-7-17)9-21(31)28-18-3-2-8-24-12-18/h2-8,10-14H,9H2,1H3,(H,28,31)(H,25,26,29)
InChIKeyYKOUORINQYVXSG-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.41
Rot. Bonds6

About 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide

2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide (PubChem CID 164620026) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide
PubChem CID164620026
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC Name2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide
SMILESCn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cccnc5)cc4)c3s2)cn1
InChIInChI=1S/C23H19N7OS/c1-30-13-16(11-27-30)20-10-19-22(32-20)23(26-14-25-19)29-17-6-4-15(5-7-17)9-21(31)28-18-3-2-8-24-12-18/h2-8,10-14H,9H2,1H3,(H,28,31)(H,25,26,29)
InChIKeyYKOUORINQYVXSG-UHFFFAOYSA-N
XLogP4.41
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide (CID 164620026) is 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide is Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)Nc5cccnc5)cc4)c3s2)cn1.
What is the InChIKey of 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide?
The InChIKey is YKOUORINQYVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-30-13-16(11-27-30)20-10-19-22(32-20)23(26-14-25-19)29-17-6-4-15(5-7-17)9-21(31)28-18-3-2-8-24-12-18/h2-8,10-14H,9H2,1H3,(H,28,31)(H,25,26,29).
What are the key properties of 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide?
2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide has a molecular weight of 441.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 164620026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).