N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine

C25H28ClN7 — CID 163375745

IUPACN'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine
SMILESC1CCNC1.CNc1c(/C(N)=N/c2ccccc2Cl)cnn2cc(-c3cnccc3C)cc12
InChIInChI=1S/C21H19ClN6.C4H9N/c1-13-7-8-25-10-15(13)14-9-19-20(24-2)16(11-26-28(19)12-14)21(23)27-18-6-4-3-5-17(18)22;1-2-4-5-3-1/h3-12,24H,1-2H3,(H2,23,27);5H,1-4H2
InChIKeyKJTKGBLQNXFXNH-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.81
Rot. Bonds4

About N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine

N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine (PubChem CID 163375745) has the molecular formula C25H28ClN7 and a molecular weight of 462.00 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine
PubChem CID163375745
Molecular FormulaC25H28ClN7
Molecular Weight462.00 g/mol
Exact Mass461.21
IUPAC NameN'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine
SMILESC1CCNC1.CNc1c(/C(N)=N/c2ccccc2Cl)cnn2cc(-c3cnccc3C)cc12
InChIInChI=1S/C21H19ClN6.C4H9N/c1-13-7-8-25-10-15(13)14-9-19-20(24-2)16(11-26-28(19)12-14)21(23)27-18-6-4-3-5-17(18)22;1-2-4-5-3-1/h3-12,24H,1-2H3,(H2,23,27);5H,1-4H2
InChIKeyKJTKGBLQNXFXNH-UHFFFAOYSA-N
XLogP4.81
TPSA92.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorophenyl)-4-(cyclopentylamino)-6-(1-methylpyrazol-4-yl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375995
N'-(2-ethyl-4-hydroxyphenyl)-4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375940
N'-(2-chloro-5-fluorophenyl)-4-(cyclohexylamino)-6-(3-ethyl-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375494
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(2-chloro-4-methoxyphenyl)-N'-(2-chlorophenyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375825
N'-(2-chlorophenyl)-4-[[(1R,3S)-3-(dipropylamino)cyclopentyl]amino]-6-(4-methoxy-2-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375707
1-[4-[4-[(4-aminocyclohexyl)amino]-3-[N'-(2-chloro-5-fluorophenyl)carbamimidoyl]pyrrolo[1,2-b]pyridazin-6-yl]-3-methylphenyl]-3-methylurea
CID 163375204
N'-(2-chloro-5-fluorophenyl)-4-[(2,2-dimethylpiperidin-4-yl)methylamino]-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375437
4-[[(3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-N'-(2-chloro-5-fluorophenyl)-6-[2-ethyl-4-(methylamino)phenyl]pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 167079552
4-(cyclohexylamino)-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375552
N'-(2-chloro-5-fluorophenyl)-4-[[(1R)-3-iminocyclopentyl]amino]-6-[6-[2-(2-methoxyethoxy)ethoxy]-4-methyl-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163374963
methyl 4-[4-[(4-aminocyclohexyl)amino]-3-[N'-(2-chloro-5-fluorophenyl)carbamimidoyl]pyrrolo[1,2-b]pyridazin-6-yl]-3-methylbenzoate
CID 163374934
4-[[(5S)-3-azabicyclo[3.1.0]hexan-1-yl]methylamino]-N'-(2-ethyl-4-hydroxyphenyl)-6-(6-methoxy-4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide
CID 163375024

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine?
The IUPAC name of N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine (CID 163375745) is N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine.
What is the SMILES notation for N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine?
The canonical SMILES for N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine is C1CCNC1.CNc1c(/C(N)=N/c2ccccc2Cl)cnn2cc(-c3cnccc3C)cc12.
What is the InChIKey of N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine?
The InChIKey is KJTKGBLQNXFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6.C4H9N/c1-13-7-8-25-10-15(13)14-9-19-20(24-2)16(11-26-28(19)12-14)21(23)27-18-6-4-3-5-17(18)22;1-2-4-5-3-1/h3-12,24H,1-2H3,(H2,23,27);5H,1-4H2.
What are the key properties of N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine?
N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine has a molecular weight of 462.00 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-4-(methylamino)-6-(4-methyl-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboximidamide;pyrrolidine is sourced from PubChem (CID 163375745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).