N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

C20H21FN4O2 — CID 91917310

IUPACN-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c21-15-7-5-14(6-8-15)13-22-18(26)9-10-24-11-12-25-19(20(24)27)16-3-1-2-4-17(16)23-25/h5-8,11-12H,1-4,9-10,13H2,(H,22,26)
InChIKeyNALJJLPYLXSSKI-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.22
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide

N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91917310) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91917310
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c21-15-7-5-14(6-8-15)13-22-18(26)9-10-24-11-12-25-19(20(24)27)16-3-1-2-4-17(16)23-25/h5-8,11-12H,1-4,9-10,13H2,(H,22,26)
InChIKeyNALJJLPYLXSSKI-UHFFFAOYSA-N
XLogP2.22
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91917310) is N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is NALJJLPYLXSSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-15-7-5-14(6-8-15)13-22-18(26)9-10-24-11-12-25-19(20(24)27)16-3-1-2-4-17(16)23-25/h5-8,11-12H,1-4,9-10,13H2,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91917310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).