1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

C17H22N6O3 — CID 129341885

IUPAC1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c1=O
InChIInChI=1S/C17H22N6O3/c1-22-6-5-18-15(17(22)25)19-9-11-10-23(7-8-26-11)16(24)14-12-3-2-4-13(12)20-21-14/h5-6,11H,2-4,7-10H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyRZJFTBNDSDYZFI-LLVKDONJSA-N
MW358.40 g/mol
LogP-0.05
Rot. Bonds4

About 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (PubChem CID 129341885) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
PubChem CID129341885
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c1=O
InChIInChI=1S/C17H22N6O3/c1-22-6-5-18-15(17(22)25)19-9-11-10-23(7-8-26-11)16(24)14-12-3-2-4-13(12)20-21-14/h5-6,11H,2-4,7-10H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyRZJFTBNDSDYZFI-LLVKDONJSA-N
XLogP-0.05
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (CID 129341885) is 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is Cn1ccnc(NC[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)c1=O.
What is the InChIKey of 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The InChIKey is RZJFTBNDSDYZFI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-22-6-5-18-15(17(22)25)19-9-11-10-23(7-8-26-11)16(24)14-12-3-2-4-13(12)20-21-14/h5-6,11H,2-4,7-10H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1.
What are the key properties of 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one has a molecular weight of 358.40 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 129341885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).