7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

C22H25N5 — CID 153404849

IUPAC7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCCCC1
InChIInChI=1S/C22H25N5/c1-15(2)19-14-24-21(11-20(19)26-17-6-4-3-5-7-17)22-9-8-18-10-16(12-23)13-25-27(18)22/h8-11,13-15,17H,3-7H2,1-2H3,(H,24,26)
InChIKeyOBJMIGAFJLWFOG-UHFFFAOYSA-N
MW359.48 g/mol
LogP5.14
Rot. Bonds4

About 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 153404849) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID153404849
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCCCC1
InChIInChI=1S/C22H25N5/c1-15(2)19-14-24-21(11-20(19)26-17-6-4-3-5-7-17)22-9-8-18-10-16(12-23)13-25-27(18)22/h8-11,13-15,17H,3-7H2,1-2H3,(H,24,26)
InChIKeyOBJMIGAFJLWFOG-UHFFFAOYSA-N
XLogP5.14
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836805
7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836571
7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 167244388
[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(methoxycarbonylamino)cyclohexyl]amino]-3-pyridinyl]boronic acid
CID 147382916
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(1,1-dihydroxythiolan-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138703648
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-methyl-4-[[3-(methylcarbamoyl)cyclobutyl]amino]pyridine-3-carboxamide
CID 138703669
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-hydroxyspiro[3.3]heptan-6-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138704198
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[3-(2-oxopropyl)cyclobutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 162221154
7-[5-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(methylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;ethane;propane
CID 167475050
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1,1-dihydroxythian-4-yl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 138703564
[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid
CID 146345399
7-[5-[5-(8-amino-3-azabicyclo[3.2.1]octan-3-yl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride
CID 153404899

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 153404849) is 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCCCC1.
What is the InChIKey of 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is OBJMIGAFJLWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-15(2)19-14-24-21(11-20(19)26-17-6-4-3-5-7-17)22-9-8-18-10-16(12-23)13-25-27(18)22/h8-11,13-15,17H,3-7H2,1-2H3,(H,24,26).
What are the key properties of 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 359.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 153404849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).