4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C20H23N7O — CID 70649553

IUPAC4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc2c(-c3cnn(C(CC#N)C4CCCC4)c3)c(C(N)=O)cnn2c1
InChIInChI=1S/C20H23N7O/c1-23-15-8-18-19(16(20(22)28)10-25-27(18)12-15)14-9-24-26(11-14)17(6-7-21)13-4-2-3-5-13/h8-13,17,23H,2-6H2,1H3,(H2,22,28)
InChIKeyCVAAOBCDAKLQPY-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.98
Rot. Bonds6

About 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 70649553) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID70649553
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc2c(-c3cnn(C(CC#N)C4CCCC4)c3)c(C(N)=O)cnn2c1
InChIInChI=1S/C20H23N7O/c1-23-15-8-18-19(16(20(22)28)10-25-27(18)12-15)14-9-24-26(11-14)17(6-7-21)13-4-2-3-5-13/h8-13,17,23H,2-6H2,1H3,(H2,22,28)
InChIKeyCVAAOBCDAKLQPY-UHFFFAOYSA-N
XLogP2.98
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 70649553) is 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is CNc1cc2c(-c3cnn(C(CC#N)C4CCCC4)c3)c(C(N)=O)cnn2c1.
What is the InChIKey of 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CVAAOBCDAKLQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-23-15-8-18-19(16(20(22)28)10-25-27(18)12-15)14-9-24-26(11-14)17(6-7-21)13-4-2-3-5-13/h8-13,17,23H,2-6H2,1H3,(H2,22,28).
What are the key properties of 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 70649553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).