N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine

C25H31FN8S — CID 144667087

IUPACN-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILESNC=C(/C=N/CCCN1CC[C@H](F)C1)c1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C25H31FN8S/c26-20-8-11-34(16-20)10-3-9-28-14-19(13-27)18-12-22-21(29-15-18)6-7-23(30-22)31-25-33-32-24(35-25)17-4-1-2-5-17/h6-7,12-15,17,20H,1-5,8-11,16,27H2,(H,30,31,33)/b19-13?,28-14+/t20-/m0/s1
InChIKeySNRMAZYDYZVGIJ-QMVYTRBVSA-N
MW494.64 g/mol
LogP4.69
Rot. Bonds9

About N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine

N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine (PubChem CID 144667087) has the molecular formula C25H31FN8S and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
PubChem CID144667087
Molecular FormulaC25H31FN8S
Molecular Weight494.64 g/mol
Exact Mass494.24
IUPAC NameN-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILESNC=C(/C=N/CCCN1CC[C@H](F)C1)c1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C25H31FN8S/c26-20-8-11-34(16-20)10-3-9-28-14-19(13-27)18-12-22-21(29-15-18)6-7-23(30-22)31-25-33-32-24(35-25)17-4-1-2-5-17/h6-7,12-15,17,20H,1-5,8-11,16,27H2,(H,30,31,33)/b19-13?,28-14+/t20-/m0/s1
InChIKeySNRMAZYDYZVGIJ-QMVYTRBVSA-N
XLogP4.69
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine (CID 144667087) is N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine is NC=C(/C=N/CCCN1CC[C@H](F)C1)c1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1.
What is the InChIKey of N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SNRMAZYDYZVGIJ-QMVYTRBVSA-N. The full InChI is InChI=1S/C25H31FN8S/c26-20-8-11-34(16-20)10-3-9-28-14-19(13-27)18-12-22-21(29-15-18)6-7-23(30-22)31-25-33-32-24(35-25)17-4-1-2-5-17/h6-7,12-15,17,20H,1-5,8-11,16,27H2,(H,30,31,33)/b19-13?,28-14+/t20-/m0/s1.
What are the key properties of N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine has a molecular weight of 494.64 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1-amino-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 144667087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).