5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide

C18H26N4O2 — CID 91837708

IUPAC5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide
SMILESCCc1n[nH]c2c1CN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2
InChIInChI=1S/C18H26N4O2/c1-5-13-12-10-22(7-6-14(12)21-20-13)9-11-8-15(17(19)23)24-16(11)18(2,3)4/h8H,5-7,9-10H2,1-4H3,(H2,19,23)(H,20,21)
InChIKeyWPGQYKWYHVCOFV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.52
Rot. Bonds4

About 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide

5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide (PubChem CID 91837708) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide
PubChem CID91837708
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide
SMILESCCc1n[nH]c2c1CN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2
InChIInChI=1S/C18H26N4O2/c1-5-13-12-10-22(7-6-14(12)21-20-13)9-11-8-15(17(19)23)24-16(11)18(2,3)4/h8H,5-7,9-10H2,1-4H3,(H2,19,23)(H,20,21)
InChIKeyWPGQYKWYHVCOFV-UHFFFAOYSA-N
XLogP2.52
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide (CID 91837708) is 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide is CCc1n[nH]c2c1CN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2.
What is the InChIKey of 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide?
The InChIKey is WPGQYKWYHVCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-13-12-10-22(7-6-14(12)21-20-13)9-11-8-15(17(19)23)24-16(11)18(2,3)4/h8H,5-7,9-10H2,1-4H3,(H2,19,23)(H,20,21).
What are the key properties of 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide?
5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 91837708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).