2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine

C31H30N8 — CID 151835103

IUPAC2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine
SMILESCCn1cnc(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CCCC7)cc6)c(C)nn45)ccnc3n2)c1
InChIInChI=1S/C31H30N8/c1-3-37-19-28(34-20-37)27-11-10-25-24(12-13-32-31(25)35-27)29-17-33-30-16-26(21(2)36-39(29)30)23-8-6-22(7-9-23)18-38-14-4-5-15-38/h6-13,16-17,19-20H,3-5,14-15,18H2,1-2H3
InChIKeySFMKNZRXYWCDHI-UHFFFAOYSA-N
MW514.64 g/mol
LogP5.79
Rot. Bonds6

About 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine

2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine (PubChem CID 151835103) has the molecular formula C31H30N8 and a molecular weight of 514.64 g/mol. Its IUPAC name is 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine
PubChem CID151835103
Molecular FormulaC31H30N8
Molecular Weight514.64 g/mol
Exact Mass514.26
IUPAC Name2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine
SMILESCCn1cnc(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CCCC7)cc6)c(C)nn45)ccnc3n2)c1
InChIInChI=1S/C31H30N8/c1-3-37-19-28(34-20-37)27-11-10-25-24(12-13-32-31(25)35-27)29-17-33-30-16-26(21(2)36-39(29)30)23-8-6-22(7-9-23)18-38-14-4-5-15-38/h6-13,16-17,19-20H,3-5,14-15,18H2,1-2H3
InChIKeySFMKNZRXYWCDHI-UHFFFAOYSA-N
XLogP5.79
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.64
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine?
The IUPAC name of 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine (CID 151835103) is 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine?
The canonical SMILES for 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine is CCn1cnc(-c2ccc3c(-c4cnc5cc(-c6ccc(CN7CCCC7)cc6)c(C)nn45)ccnc3n2)c1.
What is the InChIKey of 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine?
The InChIKey is SFMKNZRXYWCDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8/c1-3-37-19-28(34-20-37)27-11-10-25-24(12-13-32-31(25)35-27)29-17-33-30-16-26(21(2)36-39(29)30)23-8-6-22(7-9-23)18-38-14-4-5-15-38/h6-13,16-17,19-20H,3-5,14-15,18H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine?
2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine has a molecular weight of 514.64 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-4-yl)-5-[6-methyl-7-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,8-naphthyridine is sourced from PubChem (CID 151835103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).