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

C20H18N6 — CID 24913283

IUPAC2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cncc(-c2ncc3c(n2)CCN(Cc2c[nH]c4ncccc24)C3)c1
InChIInChI=1S/C20H18N6/c1-3-14(9-21-6-1)19-23-11-16-13-26(8-5-18(16)25-19)12-15-10-24-20-17(15)4-2-7-22-20/h1-4,6-7,9-11H,5,8,12-13H2,(H,22,24)
InChIKeyZNWOEAKCISQYMC-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.97
Rot. Bonds3

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

2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913283) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913283
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cncc(-c2ncc3c(n2)CCN(Cc2c[nH]c4ncccc24)C3)c1
InChIInChI=1S/C20H18N6/c1-3-14(9-21-6-1)19-23-11-16-13-26(8-5-18(16)25-19)12-15-10-24-20-17(15)4-2-7-22-20/h1-4,6-7,9-11H,5,8,12-13H2,(H,22,24)
InChIKeyZNWOEAKCISQYMC-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908960
6-[(6-fluoro-1H-indol-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909566
6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915026
6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915152
2-pyridin-3-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917293
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915740
6-[(2-chloro-5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913073
6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912905
7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931189
5-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 23209004
6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912212
6-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909314

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913283) is 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cncc(-c2ncc3c(n2)CCN(Cc2c[nH]c4ncccc24)C3)c1.
What is the InChIKey of 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZNWOEAKCISQYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-3-14(9-21-6-1)19-23-11-16-13-26(8-5-18(16)25-19)12-15-10-24-20-17(15)4-2-7-22-20/h1-4,6-7,9-11H,5,8,12-13H2,(H,22,24).
What are the key properties of 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).