7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H29FN8 — CID 90288511

IUPAC7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC[C@@H](F)C5)c4)cc3n2)c1
InChIInChI=1S/C25H29FN8/c1-17(2)18-11-25(32-28-13-18)31-24-5-4-22-23(30-24)10-19(12-27-22)20-14-29-34(15-20)8-3-7-33-9-6-21(26)16-33/h4-5,10-15,17,21H,3,6-9,16H2,1-2H3,(H,30,31,32)/t21-/m1/s1
InChIKeyRVBGUILWLOBLKQ-OAQYLSRUSA-N
MW460.56 g/mol
LogP4.58
Rot. Bonds8

About 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288511) has the molecular formula C25H29FN8 and a molecular weight of 460.56 g/mol. Its IUPAC name is 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288511
Molecular FormulaC25H29FN8
Molecular Weight460.56 g/mol
Exact Mass460.25
IUPAC Name7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC[C@@H](F)C5)c4)cc3n2)c1
InChIInChI=1S/C25H29FN8/c1-17(2)18-11-25(32-28-13-18)31-24-5-4-22-23(30-24)10-19(12-27-22)20-14-29-34(15-20)8-3-7-33-9-6-21(26)16-33/h4-5,10-15,17,21H,3,6-9,16H2,1-2H3,(H,30,31,32)/t21-/m1/s1
InChIKeyRVBGUILWLOBLKQ-OAQYLSRUSA-N
XLogP4.58
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]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-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288511) is 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC[C@@H](F)C5)c4)cc3n2)c1.
What is the InChIKey of 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is RVBGUILWLOBLKQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29FN8/c1-17(2)18-11-25(32-28-13-18)31-24-5-4-22-23(30-24)10-19(12-27-22)20-14-29-34(15-20)8-3-7-33-9-6-21(26)16-33/h4-5,10-15,17,21H,3,6-9,16H2,1-2H3,(H,30,31,32)/t21-/m1/s1.
What are the key properties of 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 460.56 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).