6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol

C27H26N6O2 — CID 53325922

IUPAC6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol
SMILESCN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(O)cccc4c3)nc2)CC1
InChIInChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)17-18-14-29-27(30-15-18)26-25(22-7-8-28-16-24(22)35-26)31-20-5-6-21-19(13-20)3-2-4-23(21)34/h2-8,13-16,31,34H,9-12,17H2,1H3
InChIKeyMFJJLZIXKPDJHY-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.63
Rot. Bonds5

About 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol

6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol (PubChem CID 53325922) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol.

Molecular Properties

Compound Name6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol
PubChem CID53325922
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol
SMILESCN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(O)cccc4c3)nc2)CC1
InChIInChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)17-18-14-29-27(30-15-18)26-25(22-7-8-28-16-24(22)35-26)31-20-5-6-21-19(13-20)3-2-4-23(21)34/h2-8,13-16,31,34H,9-12,17H2,1H3
InChIKeyMFJJLZIXKPDJHY-UHFFFAOYSA-N
XLogP4.63
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol?
The IUPAC name of 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol (CID 53325922) is 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol.
What is the SMILES notation for 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol?
The canonical SMILES for 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol is CN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(O)cccc4c3)nc2)CC1.
What is the InChIKey of 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol?
The InChIKey is MFJJLZIXKPDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)17-18-14-29-27(30-15-18)26-25(22-7-8-28-16-24(22)35-26)31-20-5-6-21-19(13-20)3-2-4-23(21)34/h2-8,13-16,31,34H,9-12,17H2,1H3.
What are the key properties of 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol?
6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol has a molecular weight of 466.55 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]naphthalen-1-ol is sourced from PubChem (CID 53325922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).