7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

C17H14N6 — CID 167244388

IUPAC7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H](C)C#N
InChIInChI=1S/C17H14N6/c1-11-9-20-16(6-15(11)22-12(2)7-18)17-4-3-14-5-13(8-19)10-21-23(14)17/h3-6,9-10,12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyYJPMTRWDOKVZKN-GFCCVEGCSA-N
MW302.34 g/mol
LogP2.90
Rot. Bonds3

About 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 167244388) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID167244388
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCc1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H](C)C#N
InChIInChI=1S/C17H14N6/c1-11-9-20-16(6-15(11)22-12(2)7-18)17-4-3-14-5-13(8-19)10-21-23(14)17/h3-6,9-10,12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyYJPMTRWDOKVZKN-GFCCVEGCSA-N
XLogP2.90
TPSA89.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile with MolForge

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Related Compounds

7-[5-methyl-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836571
4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 147817927
7-[4-(1-cyanoethylamino)-5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146441372
7-[4-(cyclohexylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 153404849
7-[4-[[(1R)-1-cyanoethyl]amino]-5-[5-(4-hydroxy-4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146441327
7-[5-[5-(4-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 164713713
7-[4-(1-cyanoethylamino)-5-[5-[6-(2-hydroxy-2-methylpropanoyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146441510
ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 156836805
N-[3-[5-[4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 166499470
N-[3-[5-[4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-azabicyclo[3.2.1]octan-8-yl]-2-hydroxy-2-methylpropanamide
CID 166499498
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-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138704785

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 167244388) is 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is Cc1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@H](C)C#N.
What is the InChIKey of 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is YJPMTRWDOKVZKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14N6/c1-11-9-20-16(6-15(11)22-12(2)7-18)17-4-3-14-5-13(8-19)10-21-23(14)17/h3-6,9-10,12H,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[(1R)-1-cyanoethyl]amino]-5-methyl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 167244388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).