1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C24H26N6O2 — CID 53378808

IUPAC1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(CN)c5)cc34)cn2)CC1
InChIInChI=1S/C24H26N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8,11,25H2,1H3,(H2,26,27)
InChIKeyYTNYGYHAAUCRGR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 53378808) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID53378808
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(CN)c5)cc34)cn2)CC1
InChIInChI=1S/C24H26N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8,11,25H2,1H3,(H2,26,27)
InChIKeyYTNYGYHAAUCRGR-UHFFFAOYSA-N
XLogP3.58
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 53378808) is 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(CN)c5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is YTNYGYHAAUCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15(31)29-7-5-19(6-8-29)30-14-18(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)17-4-2-3-16(9-17)11-25/h2-4,9-10,12-14,19H,5-8,11,25H2,1H3,(H2,26,27).
What are the key properties of 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 430.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-[3-(aminomethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53378808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).