6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol

C38H39ClN12O — CID 158687231

IUPAC6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1
InChIInChI=1S/C22H22N6O.C16H17ClN6/c1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23/h2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20)
InChIKeyIFWVRKJFMIOLER-UHFFFAOYSA-N
MW715.27 g/mol
LogP7.74
Rot. Bonds7

About 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol (PubChem CID 158687231) has the molecular formula C38H39ClN12O and a molecular weight of 715.27 g/mol. Its IUPAC name is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol
PubChem CID158687231
Molecular FormulaC38H39ClN12O
Molecular Weight715.27 g/mol
Exact Mass714.31
IUPAC Name6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1
InChIInChI=1S/C22H22N6O.C16H17ClN6/c1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23/h2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20)
InChIKeyIFWVRKJFMIOLER-UHFFFAOYSA-N
XLogP7.74
TPSA136.93 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500715.27
LogP ≤ 57.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol with MolForge

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Related Compounds

3-[7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46198375
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-[7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880103
3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenol
CID 71526619
4-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenol
CID 136235684
4-amino-6-[[(1S)-1-[3-chloro-6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 137135691
4-[3-Pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
CID 155536412
4-[4-Amino-1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 172444782
3-[4-amino-1-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78320626
3-[4-Amino-1-[[5-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78324089
3-[4-Amino-1-[[5-methyl-4-(2-pyrrolidin-1-ylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344933
3-[4-amino-1-[[4-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol?
The IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol (CID 158687231) is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol.
What is the SMILES notation for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol?
The canonical SMILES for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol is CC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.
What is the InChIKey of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol?
The InChIKey is IFWVRKJFMIOLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O.C16H17ClN6/c1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23/h2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol?
6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol has a molecular weight of 715.27 g/mol, XLogP of 7.74, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol is sourced from PubChem (CID 158687231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).