4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

C19H17N5O2 — CID 16665440

IUPAC4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1-c1ccoc1
InChIInChI=1S/C19H17N5O2/c1-11(20)14-3-2-12(8-15(14)13-5-7-26-10-13)19(25)23-17-4-6-21-18-16(17)9-22-24-18/h2-11H,20H2,1H3,(H2,21,22,23,24,25)
InChIKeyAZSHWBPLFSULDY-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.49
Rot. Bonds4

About 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (PubChem CID 16665440) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
PubChem CID16665440
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1-c1ccoc1
InChIInChI=1S/C19H17N5O2/c1-11(20)14-3-2-12(8-15(14)13-5-7-26-10-13)19(25)23-17-4-6-21-18-16(17)9-22-24-18/h2-11H,20H2,1H3,(H2,21,22,23,24,25)
InChIKeyAZSHWBPLFSULDY-UHFFFAOYSA-N
XLogP3.49
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (CID 16665440) is 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1-c1ccoc1.
What is the InChIKey of 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The InChIKey is AZSHWBPLFSULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11(20)14-3-2-12(8-15(14)13-5-7-26-10-13)19(25)23-17-4-6-21-18-16(17)9-22-24-18/h2-11H,20H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 16665440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).