N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide

C21H19N5O3 — CID 68906634

IUPACN-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccccn3)c2o1)c1ccccc1
InChIInChI=1S/C21H19N5O3/c1-21(2,13-8-4-3-5-9-13)24-20(28)16-12-15-17(29-16)18(26-25-15)23-19(27)14-10-6-7-11-22-14/h3-12H,1-2H3,(H,24,28)(H2,23,25,26,27)
InChIKeyGZYVILXSHXSBQG-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.47
Rot. Bonds5

About N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide

N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide (PubChem CID 68906634) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide
PubChem CID68906634
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccccn3)c2o1)c1ccccc1
InChIInChI=1S/C21H19N5O3/c1-21(2,13-8-4-3-5-9-13)24-20(28)16-12-15-17(29-16)18(26-25-15)23-19(27)14-10-6-7-11-22-14/h3-12H,1-2H3,(H,24,28)(H2,23,25,26,27)
InChIKeyGZYVILXSHXSBQG-UHFFFAOYSA-N
XLogP3.47
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide (CID 68906634) is N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide is CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccccn3)c2o1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide?
The InChIKey is GZYVILXSHXSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-21(2,13-8-4-3-5-9-13)24-20(28)16-12-15-17(29-16)18(26-25-15)23-19(27)14-10-6-7-11-22-14/h3-12H,1-2H3,(H,24,28)(H2,23,25,26,27).
What are the key properties of N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide?
N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)-3-(pyridine-2-carbonylamino)-1H-furo[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 68906634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).