5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one

C23H28ClN5O — CID 67962170

IUPAC5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc2c1NC(=O)C2
InChIInChI=1S/C23H28ClN5O/c1-14-8-19(9-17-11-21(30)28-22(14)17)25-5-2-16-10-20(16)15-3-6-29(7-4-15)23-26-12-18(24)13-27-23/h8-9,12-13,15-16,20,25H,2-7,10-11H2,1H3,(H,28,30)
InChIKeyWVGWUYIIQYVTKE-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.29
Rot. Bonds6

About 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one

5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 67962170) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one
PubChem CID67962170
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Name5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc2c1NC(=O)C2
InChIInChI=1S/C23H28ClN5O/c1-14-8-19(9-17-11-21(30)28-22(14)17)25-5-2-16-10-20(16)15-3-6-29(7-4-15)23-26-12-18(24)13-27-23/h8-9,12-13,15-16,20,25H,2-7,10-11H2,1H3,(H,28,30)
InChIKeyWVGWUYIIQYVTKE-UHFFFAOYSA-N
XLogP4.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one (CID 67962170) is 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(NCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is WVGWUYIIQYVTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-14-8-19(9-17-11-21(30)28-22(14)17)25-5-2-16-10-20(16)15-3-6-29(7-4-15)23-26-12-18(24)13-27-23/h8-9,12-13,15-16,20,25H,2-7,10-11H2,1H3,(H,28,30).
What are the key properties of 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one?
5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 425.96 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethylamino]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 67962170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).