4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline

C33H29FN6 — CID 154942701

IUPAC4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(CN2CCCC2C)c(F)c1
InChIInChI=1S/C33H29FN6/c1-21-4-3-15-39(21)20-26-6-5-25(16-30(26)34)29-18-33-37-19-32(40(33)38-22(29)2)28-11-14-36-31-17-24(7-8-27(28)31)23-9-12-35-13-10-23/h5-14,16-19,21H,3-4,15,20H2,1-2H3
InChIKeyQXBQQUMMRVAREW-UHFFFAOYSA-N
MW528.64 g/mol
LogP7.11
Rot. Bonds5

About 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline

4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (PubChem CID 154942701) has the molecular formula C33H29FN6 and a molecular weight of 528.64 g/mol. Its IUPAC name is 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.

Molecular Properties

Compound Name4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
PubChem CID154942701
Molecular FormulaC33H29FN6
Molecular Weight528.64 g/mol
Exact Mass528.24
IUPAC Name4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
SMILESCc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(CN2CCCC2C)c(F)c1
InChIInChI=1S/C33H29FN6/c1-21-4-3-15-39(21)20-26-6-5-25(16-30(26)34)29-18-33-37-19-32(40(33)38-22(29)2)28-11-14-36-31-17-24(7-8-27(28)31)23-9-12-35-13-10-23/h5-14,16-19,21H,3-4,15,20H2,1-2H3
InChIKeyQXBQQUMMRVAREW-UHFFFAOYSA-N
XLogP7.11
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline with MolForge

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Related Compounds

4-[4-[6-methyl-3-(7-pyridin-4-ylquinolin-4-yl)imidazo[1,2-b]pyridazin-7-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 146889195
4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888232
4-(7-chloroquinolin-4-yl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888231
[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 54970567
1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 122040854
(2S,3R)-1-[(3-fluoro-4-pyridinyl)methyl]-2-methylpiperidin-3-ol
CID 129349343
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-pyridin-4-ylquinoline
CID 10064429
2-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methyl-1,3,6,2-dioxazaborocane
CID 152690668
3-[(2S,4S)-1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-4-methylpyrrolidin-2-yl]pyridine
CID 99791847
4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126794730
3-methyl-1-[[4-[6-methyl-3-[7-(4-methyltriazol-2-yl)-1,8-naphthyridin-4-yl]imidazo[1,2-b]pyridazin-7-yl]phenyl]methyl]azetidin-3-ol
CID 150175812
N-[4-[(2-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-6-pyridin-4-yl-1,3-benzothiazol-2-amine
CID 90121685

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The IUPAC name of 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (CID 154942701) is 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.
What is the SMILES notation for 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The canonical SMILES for 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(CN2CCCC2C)c(F)c1.
What is the InChIKey of 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The InChIKey is QXBQQUMMRVAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN6/c1-21-4-3-15-39(21)20-26-6-5-25(16-30(26)34)29-18-33-37-19-32(40(33)38-22(29)2)28-11-14-36-31-17-24(7-8-27(28)31)23-9-12-35-13-10-23/h5-14,16-19,21H,3-4,15,20H2,1-2H3.
What are the key properties of 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline has a molecular weight of 528.64 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is sourced from PubChem (CID 154942701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).