2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

C20H18N6 — CID 163287329

IUPAC2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1cccc(-c2ncc3c(n2)N(c2ccnc4[nH]ccc24)CCC3)n1
InChIInChI=1S/C20H18N6/c1-13-4-2-6-16(24-13)19-23-12-14-5-3-11-26(20(14)25-19)17-8-10-22-18-15(17)7-9-21-18/h2,4,6-10,12H,3,5,11H2,1H3,(H,21,22)
InChIKeyQRLQEXJPOBLJIO-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.81
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (PubChem CID 163287329) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID163287329
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1cccc(-c2ncc3c(n2)N(c2ccnc4[nH]ccc24)CCC3)n1
InChIInChI=1S/C20H18N6/c1-13-4-2-6-16(24-13)19-23-12-14-5-3-11-26(20(14)25-19)17-8-10-22-18-15(17)7-9-21-18/h2,4,6-10,12H,3,5,11H2,1H3,(H,21,22)
InChIKeyQRLQEXJPOBLJIO-UHFFFAOYSA-N
XLogP3.81
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (CID 163287329) is 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is Cc1cccc(-c2ncc3c(n2)N(c2ccnc4[nH]ccc24)CCC3)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The InChIKey is QRLQEXJPOBLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-13-4-2-6-16(24-13)19-23-12-14-5-3-11-26(20(14)25-19)17-8-10-22-18-15(17)7-9-21-18/h2,4,6-10,12H,3,5,11H2,1H3,(H,21,22).
What are the key properties of 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 163287329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).