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

C24H26N6O4S — CID 53378488

IUPACN-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(NS(C)(=O)=O)cc5)cc34)cn2)CC1
InChIInChI=1S/C24H26N6O4S/c1-15(31)29-9-7-19(8-10-29)30-14-17(12-27-30)21-13-26-24(25)23-20(21)11-22(34-23)16-3-5-18(6-4-16)28-35(2,32)33/h3-6,11-14,19,28H,7-10H2,1-2H3,(H2,25,26)
InChIKeyIQRXAUWLIOHTSN-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.50
Rot. Bonds5

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

N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide (PubChem CID 53378488) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
PubChem CID53378488
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(NS(C)(=O)=O)cc5)cc34)cn2)CC1
InChIInChI=1S/C24H26N6O4S/c1-15(31)29-9-7-19(8-10-29)30-14-17(12-27-30)21-13-26-24(25)23-20(21)11-22(34-23)16-3-5-18(6-4-16)28-35(2,32)33/h3-6,11-14,19,28H,7-10H2,1-2H3,(H2,25,26)
InChIKeyIQRXAUWLIOHTSN-UHFFFAOYSA-N
XLogP3.50
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide (CID 53378488) is N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(NS(C)(=O)=O)cc5)cc34)cn2)CC1.
What is the InChIKey of N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
The InChIKey is IQRXAUWLIOHTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-15(31)29-9-7-19(8-10-29)30-14-17(12-27-30)21-13-26-24(25)23-20(21)11-22(34-23)16-3-5-18(6-4-16)28-35(2,32)33/h3-6,11-14,19,28H,7-10H2,1-2H3,(H2,25,26).
What are the key properties of N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide?
N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide has a molecular weight of 494.58 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 53378488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).