6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine

C29H27N7 — CID 71516900

IUPAC6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1cc2c(-c3ccc(-c4cn5cc(C6=NCCCN6)ccc5n4)cc3)c[nH]c2cc1C1=NCCCN1
InChIInChI=1S/C29H27N7/c1-11-30-28(31-12-1)21-7-9-23-24(16-34-25(23)15-21)19-3-5-20(6-4-19)26-18-36-17-22(8-10-27(36)35-26)29-32-13-2-14-33-29/h3-10,15-18,34H,1-2,11-14H2,(H,30,31)(H,32,33)
InChIKeyDXYIGSSRKFIZNF-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.63
Rot. Bonds4

About 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine

6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 71516900) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID71516900
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1cc2c(-c3ccc(-c4cn5cc(C6=NCCCN6)ccc5n4)cc3)c[nH]c2cc1C1=NCCCN1
InChIInChI=1S/C29H27N7/c1-11-30-28(31-12-1)21-7-9-23-24(16-34-25(23)15-21)19-3-5-20(6-4-19)26-18-36-17-22(8-10-27(36)35-26)29-32-13-2-14-33-29/h3-10,15-18,34H,1-2,11-14H2,(H,30,31)(H,32,33)
InChIKeyDXYIGSSRKFIZNF-UHFFFAOYSA-N
XLogP4.63
TPSA81.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine (CID 71516900) is 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine is c1cc2c(-c3ccc(-c4cn5cc(C6=NCCCN6)ccc5n4)cc3)c[nH]c2cc1C1=NCCCN1.
What is the InChIKey of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is DXYIGSSRKFIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-11-30-28(31-12-1)21-7-9-23-24(16-34-25(23)15-21)19-3-5-20(6-4-19)26-18-36-17-22(8-10-27(36)35-26)29-32-13-2-14-33-29/h3-10,15-18,34H,1-2,11-14H2,(H,30,31)(H,32,33).
What are the key properties of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 473.58 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71516900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).