7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

C22H23N5O — CID 156836604

IUPAC7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESC=C(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1(C)CCOCC1
InChIInChI=1S/C22H23N5O/c1-15(2)18-14-24-20(11-19(18)26-22(3)6-8-28-9-7-22)21-5-4-17-10-16(12-23)13-25-27(17)21/h4-5,10-11,13-14H,1,6-9H2,2-3H3,(H,24,26)
InChIKeyPPZRPHDMTUYKCZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.28
Rot. Bonds4

About 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 156836604) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID156836604
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESC=C(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1(C)CCOCC1
InChIInChI=1S/C22H23N5O/c1-15(2)18-14-24-20(11-19(18)26-22(3)6-8-28-9-7-22)21-5-4-17-10-16(12-23)13-25-27(17)21/h4-5,10-11,13-14H,1,6-9H2,2-3H3,(H,24,26)
InChIKeyPPZRPHDMTUYKCZ-UHFFFAOYSA-N
XLogP4.28
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile with MolForge

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Related Compounds

7-[5-[5-(4-hydroxy-4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4-[(3-methyloxetan-3-yl)amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146441474
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-[2-(1,5-oxazocan-5-yl)-2-oxoethyl]pyridine-3-carboxamide
CID 139316167
7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836571
N-(cyanomethyl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide
CID 138704501
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)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 138704466
ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836805
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 138703586
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-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridine-3-carboxamide
CID 138704586
N-(cyanomethyl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(2-hydroxy-2-methylspiro[3.3]heptan-6-yl)amino]pyridine-3-carboxamide
CID 138703582

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 156836604) is 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is C=C(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1(C)CCOCC1.
What is the InChIKey of 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is PPZRPHDMTUYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(2)18-14-24-20(11-19(18)26-22(3)6-8-28-9-7-22)21-5-4-17-10-16(12-23)13-25-27(17)21/h4-5,10-11,13-14H,1,6-9H2,2-3H3,(H,24,26).
What are the key properties of 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-methyloxan-4-yl)amino]-5-prop-1-en-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 156836604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).