7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H28F2N8 — CID 90289289

IUPAC7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)CN5CCCC5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8/c1-17(2)18-10-24(33-29-12-18)32-23-6-5-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-7-3-4-8-34/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,31,32,33)
InChIKeyDXJTUWIVSXRSQR-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.88
Rot. Bonds8

About 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289289) has the molecular formula C25H28F2N8 and a molecular weight of 478.55 g/mol. Its IUPAC name is 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289289
Molecular FormulaC25H28F2N8
Molecular Weight478.55 g/mol
Exact Mass478.24
IUPAC Name7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)CN5CCCC5)c4)cc3n2)c1
InChIInChI=1S/C25H28F2N8/c1-17(2)18-10-24(33-29-12-18)32-23-6-5-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-7-3-4-8-34/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,31,32,33)
InChIKeyDXJTUWIVSXRSQR-UHFFFAOYSA-N
XLogP4.88
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289289) is 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)CN5CCCC5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is DXJTUWIVSXRSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8/c1-17(2)18-10-24(33-29-12-18)32-23-6-5-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-7-3-4-8-34/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,31,32,33).
What are the key properties of 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 478.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).