2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine

C20H13FN6 — CID 69373093

IUPAC2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccnc2n1
InChIInChI=1S/C20H13FN6/c21-15-9-3-1-6-12(15)18-23-17-14(8-5-11-22-17)19(24-18)25-20-13-7-2-4-10-16(13)26-27-20/h1-11H,(H2,22,23,24,25,26,27)
InChIKeySMFGWUZZYHDTGI-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.45
Rot. Bonds3

About 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine

2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 69373093) has the molecular formula C20H13FN6 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID69373093
Molecular FormulaC20H13FN6
Molecular Weight356.36 g/mol
Exact Mass356.12
IUPAC Name2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccnc2n1
InChIInChI=1S/C20H13FN6/c21-15-9-3-1-6-12(15)18-23-17-14(8-5-11-22-17)19(24-18)25-20-13-7-2-4-10-16(13)26-27-20/h1-11H,(H2,22,23,24,25,26,27)
InChIKeySMFGWUZZYHDTGI-UHFFFAOYSA-N
XLogP4.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 69373093) is 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine is Fc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccnc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SMFGWUZZYHDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6/c21-15-9-3-1-6-12(15)18-23-17-14(8-5-11-22-17)19(24-18)25-20-13-7-2-4-10-16(13)26-27-20/h1-11H,(H2,22,23,24,25,26,27).
What are the key properties of 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 356.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69373093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).