4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine

C15H12N4 — CID 22086821

IUPAC4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine
SMILESc1ccc2c(c1)CCN2c1ncnc2cnccc12
InChIInChI=1S/C15H12N4/c1-2-4-14-11(3-1)6-8-19(14)15-12-5-7-16-9-13(12)17-10-18-15/h1-5,7,9-10H,6,8H2
InChIKeyBVKZAPDVMSUDRB-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.72
Rot. Bonds1

About 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine

4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine (PubChem CID 22086821) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine
PubChem CID22086821
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine
SMILESc1ccc2c(c1)CCN2c1ncnc2cnccc12
InChIInChI=1S/C15H12N4/c1-2-4-14-11(3-1)6-8-19(14)15-12-5-7-16-9-13(12)17-10-18-15/h1-5,7,9-10H,6,8H2
InChIKeyBVKZAPDVMSUDRB-UHFFFAOYSA-N
XLogP2.72
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine (CID 22086821) is 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine is c1ccc2c(c1)CCN2c1ncnc2cnccc12.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is BVKZAPDVMSUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-4-14-11(3-1)6-8-19(14)15-12-5-7-16-9-13(12)17-10-18-15/h1-5,7,9-10H,6,8H2.
What are the key properties of 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine?
4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 248.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 22086821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).