5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine

C17H15FN6 — CID 118262798

IUPAC5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine
SMILESFCCNc1ccc(Nc2ccc3c(n2)[nH]c2ccncc23)nc1
InChIInChI=1S/C17H15FN6/c18-6-8-20-11-1-3-15(21-9-11)23-16-4-2-12-13-10-19-7-5-14(13)22-17(12)24-16/h1-5,7,9-10,20H,6,8H2,(H2,21,22,23,24)
InChIKeyWHPNRGOONZNUBA-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.63
Rot. Bonds5

About 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine

5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine (PubChem CID 118262798) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine
PubChem CID118262798
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine
SMILESFCCNc1ccc(Nc2ccc3c(n2)[nH]c2ccncc23)nc1
InChIInChI=1S/C17H15FN6/c18-6-8-20-11-1-3-15(21-9-11)23-16-4-2-12-13-10-19-7-5-14(13)22-17(12)24-16/h1-5,7,9-10,20H,6,8H2,(H2,21,22,23,24)
InChIKeyWHPNRGOONZNUBA-UHFFFAOYSA-N
XLogP3.63
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine with MolForge

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Related Compounds

N-[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262752
11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
CID 155583870
11-(2,5-di(19F)fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159892122
N-(5-fluoro-2-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262514
5-(9H-pyrido[2,3-b]indol-2-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 130353312
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
N-(4-fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262333
N-methyl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
CID 147002776
N-(2-fluoroethyl)-6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine
CID 118576981
11-(5-fluoro-6-methoxy-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446284
2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 177447958
11-[4-(2,3-difluoropropoxy)piperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 140910573

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine (CID 118262798) is 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine is FCCNc1ccc(Nc2ccc3c(n2)[nH]c2ccncc23)nc1.
What is the InChIKey of 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine?
The InChIKey is WHPNRGOONZNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c18-6-8-20-11-1-3-15(21-9-11)23-16-4-2-12-13-10-19-7-5-14(13)22-17(12)24-16/h1-5,7,9-10,20H,6,8H2,(H2,21,22,23,24).
What are the key properties of 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine?
5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine has a molecular weight of 322.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluoroethyl)-2-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2,5-diamine is sourced from PubChem (CID 118262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).