(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C21H30N4O2 — CID 129330109

IUPAC(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc([C@H]3C[C@@H]3C)o2)CC(=O)N1C
InChIInChI=1S/C21H30N4O2/c1-12-8-17(12)18-7-6-16(27-18)11-22-10-15-9-19(26)24(4)21(15)20-13(2)23-25(5)14(20)3/h6-7,12,15,17,21-22H,8-11H2,1-5H3/t12-,15-,17-,21+/m0/s1
InChIKeyHLHXGDCIWYBOIV-QEEDKRAYSA-N
MW370.50 g/mol
LogP3.06
Rot. Bonds6

About (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 129330109) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID129330109
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc([C@H]3C[C@@H]3C)o2)CC(=O)N1C
InChIInChI=1S/C21H30N4O2/c1-12-8-17(12)18-7-6-16(27-18)11-22-10-15-9-19(26)24(4)21(15)20-13(2)23-25(5)14(20)3/h6-7,12,15,17,21-22H,8-11H2,1-5H3/t12-,15-,17-,21+/m0/s1
InChIKeyHLHXGDCIWYBOIV-QEEDKRAYSA-N
XLogP3.06
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 129330109) is (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2ccc([C@H]3C[C@@H]3C)o2)CC(=O)N1C.
What is the InChIKey of (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is HLHXGDCIWYBOIV-QEEDKRAYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-12-8-17(12)18-7-6-16(27-18)11-22-10-15-9-19(26)24(4)21(15)20-13(2)23-25(5)14(20)3/h6-7,12,15,17,21-22H,8-11H2,1-5H3/t12-,15-,17-,21+/m0/s1.
What are the key properties of (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 370.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-methyl-4-[[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 129330109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).