ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

C22H27N5O — CID 156836805

IUPACethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCC.CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCOC1
InChIInChI=1S/C20H21N5O.C2H6/c1-13(2)17-11-22-19(8-18(17)24-15-5-6-26-12-15)20-4-3-16-7-14(9-21)10-23-25(16)20;1-2/h3-4,7-8,10-11,13,15H,5-6,12H2,1-2H3,(H,22,24);1-2H3
InChIKeyXONTUEZIBPBCKJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.62
Rot. Bonds4

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

ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 156836805) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Nameethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID156836805
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Nameethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCC.CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCOC1
InChIInChI=1S/C20H21N5O.C2H6/c1-13(2)17-11-22-19(8-18(17)24-15-5-6-26-12-15)20-4-3-16-7-14(9-21)10-23-25(16)20;1-2/h3-4,7-8,10-11,13,15H,5-6,12H2,1-2H3,(H,22,24);1-2H3
InChIKeyXONTUEZIBPBCKJ-UHFFFAOYSA-N
XLogP4.62
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 90232126
CID 90232126
CID 118619984
CID 118619984
CID 151906079
CID 151906079
CID 146367213
CID 146367213
CID 146382355
CID 146382355
CID 146441525
CID 146441525
CID 142474837
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CID 71041152
CID 71041152

Frequently Asked Questions

What is the IUPAC name of ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 156836805) is ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is CC.CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCOC1.
What is the InChIKey of ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is XONTUEZIBPBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.C2H6/c1-13(2)17-11-22-19(8-18(17)24-15-5-6-26-12-15)20-4-3-16-7-14(9-21)10-23-25(16)20;1-2/h3-4,7-8,10-11,13,15H,5-6,12H2,1-2H3,(H,22,24);1-2H3.
What are the key properties of ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 377.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-[4-(oxolan-3-ylamino)-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 156836805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).