cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine

C21H21FN6 — CID 73057812

IUPACcis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1ncc2cncc(-c3cc4ccc(F)cc4[nH]3)c2n1
InChIInChI=1S/C21H21FN6/c22-14-6-5-12-7-19(26-18(12)8-14)15-11-24-9-13-10-25-21(28-20(13)15)27-17-4-2-1-3-16(17)23/h5-11,16-17,26H,1-4,23H2,(H,25,27,28)/t16-,17+/m0/s1
InChIKeyCFTKGAODXBPLLD-DLBZAZTESA-N
MW376.44 g/mol
LogP3.99
Rot. Bonds3

About cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine

cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (PubChem CID 73057812) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
PubChem CID73057812
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Namecis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESN[C@H]1CCCC[C@H]1Nc1ncc2cncc(-c3cc4ccc(F)cc4[nH]3)c2n1
InChIInChI=1S/C21H21FN6/c22-14-6-5-12-7-19(26-18(12)8-14)15-11-24-9-13-10-25-21(28-20(13)15)27-17-4-2-1-3-16(17)23/h5-11,16-17,26H,1-4,23H2,(H,25,27,28)/t16-,17+/m0/s1
InChIKeyCFTKGAODXBPLLD-DLBZAZTESA-N
XLogP3.99
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine 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 cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (CID 73057812) is cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is N[C@H]1CCCC[C@H]1Nc1ncc2cncc(-c3cc4ccc(F)cc4[nH]3)c2n1.
What is the InChIKey of cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The InChIKey is CFTKGAODXBPLLD-DLBZAZTESA-N. The full InChI is InChI=1S/C21H21FN6/c22-14-6-5-12-7-19(26-18(12)8-14)15-11-24-9-13-10-25-21(28-20(13)15)27-17-4-2-1-3-16(17)23/h5-11,16-17,26H,1-4,23H2,(H,25,27,28)/t16-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine has a molecular weight of 376.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 73057812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).