5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide

C22H26ClN5O — CID 137412270

IUPAC5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCN(C)C1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1
InChIInChI=1S/C22H26ClN5O/c1-26(2)17-9-11-27(12-10-17)14-15-3-5-16(6-4-15)19-7-8-20-18(23)13-21(22(24)29)28(20)25-19/h3-8,13,17H,9-12,14H2,1-2H3,(H2,24,29)
InChIKeyLDHUQQITRYLWDY-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.28
Rot. Bonds5

About 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide

5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide (PubChem CID 137412270) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
PubChem CID137412270
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCN(C)C1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1
InChIInChI=1S/C22H26ClN5O/c1-26(2)17-9-11-27(12-10-17)14-15-3-5-16(6-4-15)19-7-8-20-18(23)13-21(22(24)29)28(20)25-19/h3-8,13,17H,9-12,14H2,1-2H3,(H2,24,29)
InChIKeyLDHUQQITRYLWDY-UHFFFAOYSA-N
XLogP3.28
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-propan-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 21868807
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
1-(3-chlorophenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801048
1-[(4-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801076
1-(4-chlorophenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801082
1'-[(5-chloro-1,3-dimethyl-1H-indol-2-yl)carbonyl]-1,4'-bipiperidine
CID 16646023
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methylbenzamide
CID 22179996
N-(3-aminopropyl)-N-[1-(3-benzyl-5,7-dichloro-4-oxopyrrolo[2,1-f][1,2,4]triazin-2-yl)propyl]-4-methylbenzamide
CID 22180046
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
CID 118879437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide (CID 137412270) is 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide is CN(C)C1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1.
What is the InChIKey of 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is LDHUQQITRYLWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-26(2)17-9-11-27(12-10-17)14-15-3-5-16(6-4-15)19-7-8-20-18(23)13-21(22(24)29)28(20)25-19/h3-8,13,17H,9-12,14H2,1-2H3,(H2,24,29).
What are the key properties of 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 411.94 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 137412270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).