N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide

C19H21N7O — CID 89449549

IUPACN-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide
SMILESN#CCC(C1CCCC1)n1cc(-c2c(NC=O)cnn3cc(N)cc23)cn1
InChIInChI=1S/C19H21N7O/c20-6-5-17(13-3-1-2-4-13)25-10-14(8-23-25)19-16(22-12-27)9-24-26-11-15(21)7-18(19)26/h7-13,17H,1-5,21H2,(H,22,27)
InChIKeyKCASSTNAYRHDIE-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.99
Rot. Bonds6

About N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide

N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide (PubChem CID 89449549) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide.

Molecular Properties

Compound NameN-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide
PubChem CID89449549
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide
SMILESN#CCC(C1CCCC1)n1cc(-c2c(NC=O)cnn3cc(N)cc23)cn1
InChIInChI=1S/C19H21N7O/c20-6-5-17(13-3-1-2-4-13)25-10-14(8-23-25)19-16(22-12-27)9-24-26-11-15(21)7-18(19)26/h7-13,17H,1-5,21H2,(H,22,27)
InChIKeyKCASSTNAYRHDIE-UHFFFAOYSA-N
XLogP2.99
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide?
The IUPAC name of N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide (CID 89449549) is N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide.
What is the SMILES notation for N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide?
The canonical SMILES for N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide is N#CCC(C1CCCC1)n1cc(-c2c(NC=O)cnn3cc(N)cc23)cn1.
What is the InChIKey of N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide?
The InChIKey is KCASSTNAYRHDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-6-5-17(13-3-1-2-4-13)25-10-14(8-23-25)19-16(22-12-27)9-24-26-11-15(21)7-18(19)26/h7-13,17H,1-5,21H2,(H,22,27).
What are the key properties of N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide?
N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide has a molecular weight of 363.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide is sourced from PubChem (CID 89449549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).