N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

C20H19N5O4 — CID 167985037

IUPACN-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC(NC(=O)c4cc5occc5[nH]4)C3)n[nH]2)o1
InChIInChI=1S/C20H19N5O4/c1-10-2-3-17(29-10)14-8-16(25-24-14)20(27)22-12-6-11(7-12)21-19(26)15-9-18-13(23-15)4-5-28-18/h2-5,8-9,11-12,23H,6-7H2,1H3,(H,21,26)(H,22,27)(H,24,25)
InChIKeyOQPVYVQXCOWCGB-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.74
Rot. Bonds5

About N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 167985037) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID167985037
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC(NC(=O)c4cc5occc5[nH]4)C3)n[nH]2)o1
InChIInChI=1S/C20H19N5O4/c1-10-2-3-17(29-10)14-8-16(25-24-14)20(27)22-12-6-11(7-12)21-19(26)15-9-18-13(23-15)4-5-28-18/h2-5,8-9,11-12,23H,6-7H2,1H3,(H,21,26)(H,22,27)(H,24,25)
InChIKeyOQPVYVQXCOWCGB-UHFFFAOYSA-N
XLogP2.74
TPSA128.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 167985037) is N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CC(NC(=O)c4cc5occc5[nH]4)C3)n[nH]2)o1.
What is the InChIKey of N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OQPVYVQXCOWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-10-2-3-17(29-10)14-8-16(25-24-14)20(27)22-12-6-11(7-12)21-19(26)15-9-18-13(23-15)4-5-28-18/h2-5,8-9,11-12,23H,6-7H2,1H3,(H,21,26)(H,22,27)(H,24,25).
What are the key properties of N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclobutyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 167985037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).