N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H27N5O2 — CID 119668480

IUPACN-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H27N5O2/c1-4-5-7-14(11-21)23-20(26)15-10-17(18-8-6-9-27-18)24-19-16(15)12-22-25(19)13(2)3/h6,8-10,12-14H,4-5,7,11,21H2,1-3H3,(H,23,26)
InChIKeyRNHGIWFELZCEIE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.52
Rot. Bonds8

About N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119668480) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119668480
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H27N5O2/c1-4-5-7-14(11-21)23-20(26)15-10-17(18-8-6-9-27-18)24-19-16(15)12-22-25(19)13(2)3/h6,8-10,12-14H,4-5,7,11,21H2,1-3H3,(H,23,26)
InChIKeyRNHGIWFELZCEIE-UHFFFAOYSA-N
XLogP3.52
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 119668480) is N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCCC(CN)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.
What is the InChIKey of N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RNHGIWFELZCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-5-7-14(11-21)23-20(26)15-10-17(18-8-6-9-27-18)24-19-16(15)12-22-25(19)13(2)3/h6,8-10,12-14H,4-5,7,11,21H2,1-3H3,(H,23,26).
What are the key properties of N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119668480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).