N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C20H28N4O3 — CID 72878273

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C20H28N4O3/c1-23(13-19-17-5-3-2-4-6-18(17)21-22-19)20(25)15-11-16(27-14-15)12-24-7-9-26-10-8-24/h11,14H,2-10,12-13H2,1H3,(H,21,22)
InChIKeyJCHIVUCGPWNKPF-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.38
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 72878273) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID72878273
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C20H28N4O3/c1-23(13-19-17-5-3-2-4-6-18(17)21-22-19)20(25)15-11-16(27-14-15)12-24-7-9-26-10-8-24/h11,14H,2-10,12-13H2,1H3,(H,21,22)
InChIKeyJCHIVUCGPWNKPF-UHFFFAOYSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 72878273) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1coc(CN2CCOCC2)c1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is JCHIVUCGPWNKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-23(13-19-17-5-3-2-4-6-18(17)21-22-19)20(25)15-11-16(27-14-15)12-24-7-9-26-10-8-24/h11,14H,2-10,12-13H2,1H3,(H,21,22).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 72878273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).