4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C20H16N6S — CID 70778773

IUPAC4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1cc2c(-c3cc(NCc4ccccn4)nc4[nH]ccc34)ncnc2s1
InChIInChI=1S/C20H16N6S/c1-12-8-16-18(24-11-25-20(16)27-12)15-9-17(26-19-14(15)5-7-22-19)23-10-13-4-2-3-6-21-13/h2-9,11H,10H2,1H3,(H2,22,23,26)
InChIKeyPNVQDBOVXNCMNJ-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.55
Rot. Bonds4

About 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70778773) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70778773
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1cc2c(-c3cc(NCc4ccccn4)nc4[nH]ccc34)ncnc2s1
InChIInChI=1S/C20H16N6S/c1-12-8-16-18(24-11-25-20(16)27-12)15-9-17(26-19-14(15)5-7-22-19)23-10-13-4-2-3-6-21-13/h2-9,11H,10H2,1H3,(H2,22,23,26)
InChIKeyPNVQDBOVXNCMNJ-UHFFFAOYSA-N
XLogP4.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70778773) is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1cc2c(-c3cc(NCc4ccccn4)nc4[nH]ccc34)ncnc2s1.
What is the InChIKey of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is PNVQDBOVXNCMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-12-8-16-18(24-11-25-20(16)27-12)15-9-17(26-19-14(15)5-7-22-19)23-10-13-4-2-3-6-21-13/h2-9,11H,10H2,1H3,(H2,22,23,26).
What are the key properties of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 372.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70778773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).