6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine

C22H20N6 — CID 56899209

IUPAC6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1cnc2c(c1)CN(c1nc(-c3c[nH]c4ccccc34)nc3c1CNC3)CC2
InChIInChI=1S/C22H20N6/c1-2-6-19-15(5-1)16(11-25-19)21-26-20-12-23-10-17(20)22(27-21)28-9-7-18-14(13-28)4-3-8-24-18/h1-6,8,11,23,25H,7,9-10,12-13H2
InChIKeyBFJJMJZDIOCMQQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.19
Rot. Bonds2

About 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine

6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 56899209) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID56899209
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1cnc2c(c1)CN(c1nc(-c3c[nH]c4ccccc34)nc3c1CNC3)CC2
InChIInChI=1S/C22H20N6/c1-2-6-19-15(5-1)16(11-25-19)21-26-20-12-23-10-17(20)22(27-21)28-9-7-18-14(13-28)4-3-8-24-18/h1-6,8,11,23,25H,7,9-10,12-13H2
InChIKeyBFJJMJZDIOCMQQ-UHFFFAOYSA-N
XLogP3.19
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine (CID 56899209) is 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine is c1cnc2c(c1)CN(c1nc(-c3c[nH]c4ccccc34)nc3c1CNC3)CC2.
What is the InChIKey of 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is BFJJMJZDIOCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-6-19-15(5-1)16(11-25-19)21-26-20-12-23-10-17(20)22(27-21)28-9-7-18-14(13-28)4-3-8-24-18/h1-6,8,11,23,25H,7,9-10,12-13H2.
What are the key properties of 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 368.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 56899209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).