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

C24H29N5O2 — CID 134803232

IUPACN-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CN(C(=O)NC3CCCC3)C1)C2=O
InChIInChI=1S/C24H29N5O2/c1-15-20-21(16-11-12-16)28(19-13-27(14-19)24(31)25-17-7-5-6-8-17)23(30)22(20)29(26-15)18-9-3-2-4-10-18/h2-4,9-10,16-17,19,21H,5-8,11-14H2,1H3,(H,25,31)
InChIKeyQTBXOHREYJLUEK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.42
Rot. Bonds4

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

N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide (PubChem CID 134803232) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
PubChem CID134803232
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CN(C(=O)NC3CCCC3)C1)C2=O
InChIInChI=1S/C24H29N5O2/c1-15-20-21(16-11-12-16)28(19-13-27(14-19)24(31)25-17-7-5-6-8-17)23(30)22(20)29(26-15)18-9-3-2-4-10-18/h2-4,9-10,16-17,19,21H,5-8,11-14H2,1H3,(H,25,31)
InChIKeyQTBXOHREYJLUEK-UHFFFAOYSA-N
XLogP3.42
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide
CID 134802811
4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801487
5-[1-(4-chlorobenzoyl)azetidin-3-yl]-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801102
5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134800702
CID 134801744
CID 134801744
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
5-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803369
5-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803830
4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801245
CID 134801572
CID 134801572
5-[1-(2-chlorobenzoyl)azetidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803514
5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803865

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide (CID 134803232) is N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CN(C(=O)NC3CCCC3)C1)C2=O.
What is the InChIKey of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
The InChIKey is QTBXOHREYJLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15-20-21(16-11-12-16)28(19-13-27(14-19)24(31)25-17-7-5-6-8-17)23(30)22(20)29(26-15)18-9-3-2-4-10-18/h2-4,9-10,16-17,19,21H,5-8,11-14H2,1H3,(H,25,31).
What are the key properties of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide?
N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 134803232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).