N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide

C21H27N5O2 — CID 134802646

IUPACN,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C(C)C)N(C1CN(C(=O)N(C)C)C1)C2=O
InChIInChI=1S/C21H27N5O2/c1-13(2)18-17-14(3)22-26(15-9-7-6-8-10-15)19(17)20(27)25(18)16-11-24(12-16)21(28)23(4)5/h6-10,13,16,18H,11-12H2,1-5H3
InChIKeyGXBFBYKJQMBTQK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.70
Rot. Bonds3

About N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide

N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide (PubChem CID 134802646) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
PubChem CID134802646
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C(C)C)N(C1CN(C(=O)N(C)C)C1)C2=O
InChIInChI=1S/C21H27N5O2/c1-13(2)18-17-14(3)22-26(15-9-7-6-8-10-15)19(17)20(27)25(18)16-11-24(12-16)21(28)23(4)5/h6-10,13,16,18H,11-12H2,1-5H3
InChIKeyGXBFBYKJQMBTQK-UHFFFAOYSA-N
XLogP2.70
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide (CID 134802646) is N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide is Cc1nn(-c2ccccc2)c2c1C(C(C)C)N(C1CN(C(=O)N(C)C)C1)C2=O.
What is the InChIKey of N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
The InChIKey is GXBFBYKJQMBTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)18-17-14(3)22-26(15-9-7-6-8-10-15)19(17)20(27)25(18)16-11-24(12-16)21(28)23(4)5/h6-10,13,16,18H,11-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methyl-6-oxo-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 134802646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).