4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile

C15H14N6O — CID 118236994

IUPAC4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile
SMILESCC(C)COc1ncnc2[nH]cc(-c3ccnnc3C#N)c12
InChIInChI=1S/C15H14N6O/c1-9(2)7-22-15-13-11(6-17-14(13)18-8-19-15)10-3-4-20-21-12(10)5-16/h3-4,6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyRCDIHGWVXNKYAH-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.32
Rot. Bonds4

About 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile

4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile (PubChem CID 118236994) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile
PubChem CID118236994
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile
SMILESCC(C)COc1ncnc2[nH]cc(-c3ccnnc3C#N)c12
InChIInChI=1S/C15H14N6O/c1-9(2)7-22-15-13-11(6-17-14(13)18-8-19-15)10-3-4-20-21-12(10)5-16/h3-4,6,8-9H,7H2,1-2H3,(H,17,18,19)
InChIKeyRCDIHGWVXNKYAH-UHFFFAOYSA-N
XLogP2.32
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-oxazole-4-carbonitrile
CID 136970240
2-isocyano-5-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 137117817
(Z)-3-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enenitrile
CID 73052068
(E)-4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-3-en-2-one
CID 73052069
(E)-4-hydroxy-N-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-2-enamide
CID 118236948
4-(4-propan-2-ylcyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123691548
4-(4-methoxyphenyl)pyridazine-3-carbonitrile
CID 71185363
3-(4-methylpentoxy)pyridazine-4-carbonitrile
CID 80510178
5-(7-chloro-2-methyl-1,3-benzothiazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CID 175805079
3-[4-(1-cyanopropan-2-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 123472897
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
(Z)-4-[4-(2-hydroxy-2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-isocyanobut-2-enenitrile
CID 123636002

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile?
The IUPAC name of 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile (CID 118236994) is 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile is CC(C)COc1ncnc2[nH]cc(-c3ccnnc3C#N)c12.
What is the InChIKey of 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile?
The InChIKey is RCDIHGWVXNKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c1-9(2)7-22-15-13-11(6-17-14(13)18-8-19-15)10-3-4-20-21-12(10)5-16/h3-4,6,8-9H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile?
4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile has a molecular weight of 294.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 118236994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).