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

C18H24N4O2 — CID 91890254

IUPACN-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NC1CCCC1
InChIInChI=1S/C18H24N4O2/c23-16(19-13-5-1-2-6-13)9-10-21-11-12-22-17(18(21)24)14-7-3-4-8-15(14)20-22/h11-13H,1-10H2,(H,19,23)
InChIKeyZHHKDSDTCYCMJV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.82
Rot. Bonds4

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

N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (PubChem CID 91890254) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
PubChem CID91890254
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
SMILESO=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NC1CCCC1
InChIInChI=1S/C18H24N4O2/c23-16(19-13-5-1-2-6-13)9-10-21-11-12-22-17(18(21)24)14-7-3-4-8-15(14)20-22/h11-13H,1-10H2,(H,19,23)
InChIKeyZHHKDSDTCYCMJV-UHFFFAOYSA-N
XLogP1.82
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide (CID 91890254) is N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
The InChIKey is ZHHKDSDTCYCMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-16(19-13-5-1-2-6-13)9-10-21-11-12-22-17(18(21)24)14-7-3-4-8-15(14)20-22/h11-13H,1-10H2,(H,19,23).
What are the key properties of N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide?
N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide is sourced from PubChem (CID 91890254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).