5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one

C26H26N6O2 — CID 91490346

IUPAC5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one
SMILESCN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(c3)CCC4=O)nc2)CC1
InChIInChI=1S/C26H26N6O2/c1-31-8-10-32(11-9-31)16-17-13-28-26(29-14-17)25-24(21-6-7-27-15-23(21)34-25)30-19-3-4-20-18(12-19)2-5-22(20)33/h3-4,6-7,12-15,30H,2,5,8-11,16H2,1H3
InChIKeySVTRIFNSSUHSGV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.90
Rot. Bonds5

About 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one

5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one (PubChem CID 91490346) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one
PubChem CID91490346
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one
SMILESCN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(c3)CCC4=O)nc2)CC1
InChIInChI=1S/C26H26N6O2/c1-31-8-10-32(11-9-31)16-17-13-28-26(29-14-17)25-24(21-6-7-27-15-23(21)34-25)30-19-3-4-20-18(12-19)2-5-22(20)33/h3-4,6-7,12-15,30H,2,5,8-11,16H2,1H3
InChIKeySVTRIFNSSUHSGV-UHFFFAOYSA-N
XLogP3.90
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one (CID 91490346) is 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one is CN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(c3)CCC4=O)nc2)CC1.
What is the InChIKey of 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one?
The InChIKey is SVTRIFNSSUHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-31-8-10-32(11-9-31)16-17-13-28-26(29-14-17)25-24(21-6-7-27-15-23(21)34-25)30-19-3-4-20-18(12-19)2-5-22(20)33/h3-4,6-7,12-15,30H,2,5,8-11,16H2,1H3.
What are the key properties of 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one?
5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one has a molecular weight of 454.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one is sourced from PubChem (CID 91490346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).