N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide

C21H33N5O2 — CID 54583952

IUPACN-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C3CC3)CC1)C2(C)C
InChIInChI=1S/C21H33N5O2/c1-13(2)11-17(27)22-19-16-12-26(21(3,4)18(16)23-24-19)20(28)14-7-9-25(10-8-14)15-5-6-15/h13-15H,5-12H2,1-4H3,(H2,22,23,24,27)
InChIKeyPWMQUOFEZWCTAE-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.85
Rot. Bonds5

About N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide

N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 54583952) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
PubChem CID54583952
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C3CC3)CC1)C2(C)C
InChIInChI=1S/C21H33N5O2/c1-13(2)11-17(27)22-19-16-12-26(21(3,4)18(16)23-24-19)20(28)14-7-9-25(10-8-14)15-5-6-15/h13-15H,5-12H2,1-4H3,(H2,22,23,24,27)
InChIKeyPWMQUOFEZWCTAE-UHFFFAOYSA-N
XLogP2.85
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide (CID 54583952) is N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C3CC3)CC1)C2(C)C.
What is the InChIKey of N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is PWMQUOFEZWCTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-13(2)11-17(27)22-19-16-12-26(21(3,4)18(16)23-24-19)20(28)14-7-9-25(10-8-14)15-5-6-15/h13-15H,5-12H2,1-4H3,(H2,22,23,24,27).
What are the key properties of N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide?
N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 387.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropylpiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 54583952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).