5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one

C16H12N4O — CID 70201037

IUPAC5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Cc3ncnc4ncccc34)ccc2N1
InChIInChI=1S/C16H12N4O/c21-15-8-11-6-10(3-4-13(11)20-15)7-14-12-2-1-5-17-16(12)19-9-18-14/h1-6,9H,7-8H2,(H,20,21)
InChIKeyKOOUSBCIVOBLOT-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.11
Rot. Bonds2

About 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one

5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 70201037) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID70201037
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Cc3ncnc4ncccc34)ccc2N1
InChIInChI=1S/C16H12N4O/c21-15-8-11-6-10(3-4-13(11)20-15)7-14-12-2-1-5-17-16(12)19-9-18-14/h1-6,9H,7-8H2,(H,20,21)
InChIKeyKOOUSBCIVOBLOT-UHFFFAOYSA-N
XLogP2.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one (CID 70201037) is 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(Cc3ncnc4ncccc34)ccc2N1.
What is the InChIKey of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is KOOUSBCIVOBLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-15-8-11-6-10(3-4-13(11)20-15)7-14-12-2-1-5-17-16(12)19-9-18-14/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one?
5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 70201037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).