5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C25H29FN8S — CID 118497402

IUPAC5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC1CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1
InChIInChI=1S/C25H29FN8S/c26-20-8-11-33(16-20)9-3-10-34-15-19(14-28-34)18-12-22-21(27-13-18)6-7-23(29-22)30-25-32-31-24(35-25)17-4-1-2-5-17/h6-7,12-15,17,20H,1-5,8-11,16H2,(H,29,30,32)
InChIKeyNTDRTTZALUKJDQ-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.18
Rot. Bonds8

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

5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 118497402) has the molecular formula C25H29FN8S and a molecular weight of 492.63 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID118497402
Molecular FormulaC25H29FN8S
Molecular Weight492.63 g/mol
Exact Mass492.22
IUPAC Name5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC1CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1
InChIInChI=1S/C25H29FN8S/c26-20-8-11-33(16-20)9-3-10-34-15-19(14-28-34)18-12-22-21(27-13-18)6-7-23(29-22)30-25-32-31-24(35-25)17-4-1-2-5-17/h6-7,12-15,17,20H,1-5,8-11,16H2,(H,29,30,32)
InChIKeyNTDRTTZALUKJDQ-UHFFFAOYSA-N
XLogP5.18
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 118497402) is 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is FC1CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NTDRTTZALUKJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8S/c26-20-8-11-33(16-20)9-3-10-34-15-19(14-28-34)18-12-22-21(27-13-18)6-7-23(29-22)30-25-32-31-24(35-25)17-4-1-2-5-17/h6-7,12-15,17,20H,1-5,8-11,16H2,(H,29,30,32).
What are the key properties of 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 492.63 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118497402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).