N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

C18H20N4O3 — CID 91917313

IUPACN-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccco1
InChIInChI=1S/C18H20N4O3/c23-16(19-12-13-4-3-11-25-13)7-8-21-9-10-22-17(18(21)24)14-5-1-2-6-15(14)20-22/h3-4,9-11H,1-2,5-8,12H2,(H,19,23)
InChIKeyKQHZXCNRJUAKQQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.67
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91917313) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91917313
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccco1
InChIInChI=1S/C18H20N4O3/c23-16(19-12-13-4-3-11-25-13)7-8-21-9-10-22-17(18(21)24)14-5-1-2-6-15(14)20-22/h3-4,9-11H,1-2,5-8,12H2,(H,19,23)
InChIKeyKQHZXCNRJUAKQQ-UHFFFAOYSA-N
XLogP1.67
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890320
2-(cyclopentylmethyl)-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358238
2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 91890118
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 40669798
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890297

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91917313) is N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is KQHZXCNRJUAKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(19-12-13-4-3-11-25-13)7-8-21-9-10-22-17(18(21)24)14-5-1-2-6-15(14)20-22/h3-4,9-11H,1-2,5-8,12H2,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91917313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).