2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine

C21H21FN6 — CID 123988721

IUPAC2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ncc2cncc(-c3c[nH]c4ccc(F)cc34)c2n1
InChIInChI=1S/C21H21FN6/c22-13-5-6-18-14(7-13)15(11-25-18)16-10-24-8-12-9-26-21(28-20(12)16)27-19-4-2-1-3-17(19)23/h5-11,17,19,25H,1-4,23H2,(H,26,27,28)
InChIKeyCLTTXLPDXCSNBH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.99
Rot. Bonds3

About 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine

2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (PubChem CID 123988721) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
PubChem CID123988721
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ncc2cncc(-c3c[nH]c4ccc(F)cc34)c2n1
InChIInChI=1S/C21H21FN6/c22-13-5-6-18-14(7-13)15(11-25-18)16-10-24-8-12-9-26-21(28-20(12)16)27-19-4-2-1-3-17(19)23/h5-11,17,19,25H,1-4,23H2,(H,26,27,28)
InChIKeyCLTTXLPDXCSNBH-UHFFFAOYSA-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 2-N-[8-(5-fluoro-1H-indol-3-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

Related Compounds

Mavorixafor
CID 11256587
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
Pazelliptine
CID 68853
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-775,606
CID 6426760
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
Zipalertinib
CID 117918742
Tuspetinib
CID 135390910

Frequently Asked Questions

What is the IUPAC name of 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine (CID 123988721) is 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is NC1CCCCC1Nc1ncc2cncc(-c3c[nH]c4ccc(F)cc34)c2n1.
What is the InChIKey of 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
The InChIKey is CLTTXLPDXCSNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c22-13-5-6-18-14(7-13)15(11-25-18)16-10-24-8-12-9-26-21(28-20(12)16)27-19-4-2-1-3-17(19)23/h5-11,17,19,25H,1-4,23H2,(H,26,27,28).
What are the key properties of 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine?
2-N-[8-(5-fluoro-1H-indol-3-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 2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 123988721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).