3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide

C24H24N6O3 — CID 53378489

IUPAC3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(N)=O)c5)cc34)cn2)CC1
InChIInChI=1S/C24H24N6O3/c1-14(31)29-7-5-18(6-8-29)30-13-17(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)15-3-2-4-16(9-15)24(26)32/h2-4,9-13,18H,5-8H2,1H3,(H2,25,27)(H2,26,32)
InChIKeyXESCBULBTJHJDG-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.22
Rot. Bonds4

About 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide

3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide (PubChem CID 53378489) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide
PubChem CID53378489
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(N)=O)c5)cc34)cn2)CC1
InChIInChI=1S/C24H24N6O3/c1-14(31)29-7-5-18(6-8-29)30-13-17(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)15-3-2-4-16(9-15)24(26)32/h2-4,9-13,18H,5-8H2,1H3,(H2,25,27)(H2,26,32)
InChIKeyXESCBULBTJHJDG-UHFFFAOYSA-N
XLogP3.22
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide?
The IUPAC name of 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide (CID 53378489) is 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(N)=O)c5)cc34)cn2)CC1.
What is the InChIKey of 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide?
The InChIKey is XESCBULBTJHJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-14(31)29-7-5-18(6-8-29)30-13-17(11-28-30)20-12-27-23(25)22-19(20)10-21(33-22)15-3-2-4-16(9-15)24(26)32/h2-4,9-13,18H,5-8H2,1H3,(H2,25,27)(H2,26,32).
What are the key properties of 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide?
3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 444.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 53378489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).