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

C25H28F2N8S — CID 118503992

IUPAC5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC1(F)CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1
InChIInChI=1S/C25H28F2N8S/c26-25(27)8-11-34(16-25)9-3-10-35-15-19(14-29-35)18-12-21-20(28-13-18)6-7-22(30-21)31-24-33-32-23(36-24)17-4-1-2-5-17/h6-7,12-15,17H,1-5,8-11,16H2,(H,30,31,33)
InChIKeyGJWJFCFZBGNTLX-UHFFFAOYSA-N
MW510.62 g/mol
LogP5.48
Rot. Bonds8

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

5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 118503992) has the molecular formula C25H28F2N8S and a molecular weight of 510.62 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID118503992
Molecular FormulaC25H28F2N8S
Molecular Weight510.62 g/mol
Exact Mass510.21
IUPAC Name5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC1(F)CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1
InChIInChI=1S/C25H28F2N8S/c26-25(27)8-11-34(16-25)9-3-10-35-15-19(14-29-35)18-12-21-20(28-13-18)6-7-22(30-21)31-24-33-32-23(36-24)17-4-1-2-5-17/h6-7,12-15,17H,1-5,8-11,16H2,(H,30,31,33)
InChIKeyGJWJFCFZBGNTLX-UHFFFAOYSA-N
XLogP5.48
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 118503992) is 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-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-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is FC1(F)CCN(CCCn2cc(-c3cnc4ccc(Nc5nnc(C6CCCC6)s5)nc4c3)cn2)C1.
What is the InChIKey of 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GJWJFCFZBGNTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8S/c26-25(27)8-11-34(16-25)9-3-10-35-15-19(14-29-35)18-12-21-20(28-13-18)6-7-22(30-21)31-24-33-32-23(36-24)17-4-1-2-5-17/h6-7,12-15,17H,1-5,8-11,16H2,(H,30,31,33).
What are the key properties of 5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 510.62 g/mol, XLogP of 5.48, 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-(3,3-difluoropyrrolidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118503992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).