7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine

C31H34N8 — CID 167366868

IUPAC7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccc3ncc(N4CCC(N5CCN(C)CC5)CC4)cc3n2)n1
InChIInChI=1S/C31H34N8/c1-22-6-5-7-26(33-22)30-31(39-13-4-3-8-29(39)35-30)27-10-9-25-28(34-27)20-24(21-32-25)37-14-11-23(12-15-37)38-18-16-36(2)17-19-38/h3-10,13,20-21,23H,11-12,14-19H2,1-2H3
InChIKeyRYRDMWFMWRBHDC-UHFFFAOYSA-N
MW518.67 g/mol
LogP4.53
Rot. Bonds4

About 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine

7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine (PubChem CID 167366868) has the molecular formula C31H34N8 and a molecular weight of 518.67 g/mol. Its IUPAC name is 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
PubChem CID167366868
Molecular FormulaC31H34N8
Molecular Weight518.67 g/mol
Exact Mass518.29
IUPAC Name7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccc3ncc(N4CCC(N5CCN(C)CC5)CC4)cc3n2)n1
InChIInChI=1S/C31H34N8/c1-22-6-5-7-26(33-22)30-31(39-13-4-3-8-29(39)35-30)27-10-9-25-28(34-27)20-24(21-32-25)37-14-11-23(12-15-37)38-18-16-36(2)17-19-38/h3-10,13,20-21,23H,11-12,14-19H2,1-2H3
InChIKeyRYRDMWFMWRBHDC-UHFFFAOYSA-N
XLogP4.53
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.67
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
The IUPAC name of 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine (CID 167366868) is 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
The canonical SMILES for 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine is Cc1cccc(-c2nc3ccccn3c2-c2ccc3ncc(N4CCC(N5CCN(C)CC5)CC4)cc3n2)n1.
What is the InChIKey of 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
The InChIKey is RYRDMWFMWRBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8/c1-22-6-5-7-26(33-22)30-31(39-13-4-3-8-29(39)35-30)27-10-9-25-28(34-27)20-24(21-32-25)37-14-11-23(12-15-37)38-18-16-36(2)17-19-38/h3-10,13,20-21,23H,11-12,14-19H2,1-2H3.
What are the key properties of 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine has a molecular weight of 518.67 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine is sourced from PubChem (CID 167366868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).