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

C17H17ClN4O — CID 137412266

IUPAC5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCN(C)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1
InChIInChI=1S/C17H17ClN4O/c1-21(2)10-11-3-5-12(6-4-11)14-7-8-15-13(18)9-16(17(19)23)22(15)20-14/h3-9H,10H2,1-2H3,(H2,19,23)
InChIKeyRUOPPILAFNBOIX-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.82
Rot. Bonds4

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

5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide (PubChem CID 137412266) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
PubChem CID137412266
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
SMILESCN(C)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1
InChIInChI=1S/C17H17ClN4O/c1-21(2)10-11-3-5-12(6-4-11)14-7-8-15-13(18)9-16(17(19)23)22(15)20-14/h3-9H,10H2,1-2H3,(H2,19,23)
InChIKeyRUOPPILAFNBOIX-UHFFFAOYSA-N
XLogP2.82
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-Chloro-2-[4-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
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5-Chloro-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
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5-Chloro-2-[4-(piperazin-1-ylmethyl)phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide (CID 137412266) is 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide is CN(C)Cc1ccc(-c2ccc3c(Cl)cc(C(N)=O)n3n2)cc1.
What is the InChIKey of 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is RUOPPILAFNBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-21(2)10-11-3-5-12(6-4-11)14-7-8-15-13(18)9-16(17(19)23)22(15)20-14/h3-9H,10H2,1-2H3,(H2,19,23).
What are the key properties of 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide?
5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(dimethylamino)methyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 137412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).