(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C19H24N6O3 — CID 126438626

IUPAC(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1-n1cc(CNC(=O)N2CCN3CCNC(=O)[C@H]3C2)cn1
InChIInChI=1S/C19H24N6O3/c1-28-17-5-3-2-4-15(17)25-12-14(11-22-25)10-21-19(27)24-9-8-23-7-6-20-18(26)16(23)13-24/h2-5,11-12,16H,6-10,13H2,1H3,(H,20,26)(H,21,27)/t16-/m1/s1
InChIKeyKHVBIMQYRFCDND-MRXNPFEDSA-N
MW384.44 g/mol
LogP0.21
Rot. Bonds4

About (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 126438626) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID126438626
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1-n1cc(CNC(=O)N2CCN3CCNC(=O)[C@H]3C2)cn1
InChIInChI=1S/C19H24N6O3/c1-28-17-5-3-2-4-15(17)25-12-14(11-22-25)10-21-19(27)24-9-8-23-7-6-20-18(26)16(23)13-24/h2-5,11-12,16H,6-10,13H2,1H3,(H,20,26)(H,21,27)/t16-/m1/s1
InChIKeyKHVBIMQYRFCDND-MRXNPFEDSA-N
XLogP0.21
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

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1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
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N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390
(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
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methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
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N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 126438626) is (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is COc1ccccc1-n1cc(CNC(=O)N2CCN3CCNC(=O)[C@H]3C2)cn1.
What is the InChIKey of (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is KHVBIMQYRFCDND-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-28-17-5-3-2-4-15(17)25-12-14(11-22-25)10-21-19(27)24-9-8-23-7-6-20-18(26)16(23)13-24/h2-5,11-12,16H,6-10,13H2,1H3,(H,20,26)(H,21,27)/t16-/m1/s1.
What are the key properties of (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 126438626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).