[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid

C25H27N9O2 — CID 146345399

IUPAC[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid
SMILESCC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1-n1cc(C2CCC(NC(=O)O)CC2)nn1
InChIInChI=1S/C25H27N9O2/c1-15(2)29-21-10-20(23-8-7-19-9-16(11-26)12-28-34(19)23)27-13-24(21)33-14-22(31-32-33)17-3-5-18(6-4-17)30-25(35)36/h7-10,12-15,17-18,30H,3-6H2,1-2H3,(H,27,29)(H,35,36)
InChIKeyMPBVKUGWBDWGTG-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.96
Rot. Bonds6

About [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid

[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid (PubChem CID 146345399) has the molecular formula C25H27N9O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid
PubChem CID146345399
Molecular FormulaC25H27N9O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC Name[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid
SMILESCC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1-n1cc(C2CCC(NC(=O)O)CC2)nn1
InChIInChI=1S/C25H27N9O2/c1-15(2)29-21-10-20(23-8-7-19-9-16(11-26)12-28-34(19)23)27-13-24(21)33-14-22(31-32-33)17-3-5-18(6-4-17)30-25(35)36/h7-10,12-15,17-18,30H,3-6H2,1-2H3,(H,27,29)(H,35,36)
InChIKeyMPBVKUGWBDWGTG-UHFFFAOYSA-N
XLogP3.96
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid 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

7-[5-[4-(3-hydroxy-3-methylbutyl)triazol-1-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345303
[1-[5-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazole-2-carbonyl]piperidin-3-yl]carbamic acid
CID 146441485
methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
CID 135195588
7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836571
[4-[[5-[5-(4-acetamidocyclohexyl)-1,3,4-thiadiazol-2-yl]-2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-pyridinyl]amino]cyclohexyl]carbamic acid
CID 156514358
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(1,1-dihydroxythiolan-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138703648
tert-butyl-[4-[5-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]carbamic acid
CID 156514316
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
[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(methoxycarbonylamino)cyclohexyl]amino]-3-pyridinyl]boronic acid
CID 147382916
2-[4-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-1-yl]-N,N-dimethylacetamide
CID 146345318
[4-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-pyridinyl]amino]cyclohexyl]carbamic acid
CID 138704399

Frequently Asked Questions

What is the IUPAC name of [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid?
The IUPAC name of [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) is [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid is CC(C)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1-n1cc(C2CCC(NC(=O)O)CC2)nn1.
What is the InChIKey of [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid?
The InChIKey is MPBVKUGWBDWGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2/c1-15(2)29-21-10-20(23-8-7-19-9-16(11-26)12-28-34(19)23)27-13-24(21)33-14-22(31-32-33)17-3-5-18(6-4-17)30-25(35)36/h7-10,12-15,17-18,30H,3-6H2,1-2H3,(H,27,29)(H,35,36).
What are the key properties of [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid?
[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid has a molecular weight of 485.55 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 146345399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).