5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine

C20H14ClFN6 — CID 171527084

About 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine

5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine (PubChem CID 171527084) has the molecular formula C20H14ClFN6 and a molecular weight of 392.83 g/mol. Its IUPAC name is 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
• PubChem CID: 171527084
• Molecular Formula: C20H14ClFN6
• Molecular Weight: 392.83 g/mol
• Exact Mass: 392.10
• IUPAC Name: 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
• SMILES: Nc1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3n2)cn1
• InChI: InChI=1S/C20H14ClFN6/c21-13-8-17-11(7-14(13)22)5-6-28(17)20-19-16(25-10-26-20)3-2-15(27-19)12-1-4-18(23)24-9-12/h1-4,7-10H,5-6H2,(H2,23,24)
• InChIKey: WXYZSLBSIGIMNM-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 80.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.83
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?

The IUPAC name of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine (CID 171527084) is 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine.

What is the SMILES notation for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?

The canonical SMILES for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine is Nc1ccc(-c2ccc3ncnc(N4CCc5cc(F)c(Cl)cc54)c3n2)cn1.

What is the InChIKey of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?

The InChIKey is WXYZSLBSIGIMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN6/c21-13-8-17-11(7-14(13)22)5-6-28(17)20-19-16(25-10-26-20)3-2-15(27-19)12-1-4-18(23)24-9-12/h1-4,7-10H,5-6H2,(H2,23,24).

What are the key properties of 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?

5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine has a molecular weight of 392.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine is sourced from PubChem (CID 171527084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).