4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

C26H28FN5O2 — CID 11167110

IUPAC4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESC[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCC(F)CC4)cc3)c2C1)c1ccccc1
InChIInChI=1S/C26H28FN5O2/c1-17(18-5-3-2-4-6-18)26(34)32-15-22-23(16-32)29-30-24(22)28-25(33)19-7-9-21(10-8-19)31-13-11-20(27)12-14-31/h2-10,17,20H,11-16H2,1H3,(H2,28,29,30,33)/t17-/m1/s1
InChIKeyOOVDVPOUMZDRSK-QGZVFWFLSA-N
MW461.54 g/mol
LogP4.25
Rot. Bonds5

About 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (PubChem CID 11167110) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
PubChem CID11167110
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESC[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCC(F)CC4)cc3)c2C1)c1ccccc1
InChIInChI=1S/C26H28FN5O2/c1-17(18-5-3-2-4-6-18)26(34)32-15-22-23(16-32)29-30-24(22)28-25(33)19-7-9-21(10-8-19)31-13-11-20(27)12-14-31/h2-10,17,20H,11-16H2,1H3,(H2,28,29,30,33)/t17-/m1/s1
InChIKeyOOVDVPOUMZDRSK-QGZVFWFLSA-N
XLogP4.25
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 11454872
4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl-methylamino]piperidin-1-yl]-N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 168916783
4-(4-methylpiperazin-1-yl)-N-[5-(2-naphthalen-1-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 71654818
3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 71477723
4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]-N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 168872482
4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]-N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 168872167
4-(4-methylpiperazin-1-yl)-N-[5-[2-(2,3,5-trifluorophenyl)acetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 71654881
4-[4-[[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]-N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 168871966
N-[5-(2-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24752029
N-[5-[(2R)-2-methoxy-2-phenyl-1H-azet-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 122452850
4-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]-N-[5-(2-methoxy-2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 170157947
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (CID 11167110) is 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is C[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCC(F)CC4)cc3)c2C1)c1ccccc1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The InChIKey is OOVDVPOUMZDRSK-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-17(18-5-3-2-4-6-18)26(34)32-15-22-23(16-32)29-30-24(22)28-25(33)19-7-9-21(10-8-19)31-13-11-20(27)12-14-31/h2-10,17,20H,11-16H2,1H3,(H2,28,29,30,33)/t17-/m1/s1.
What are the key properties of 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)-N-[5-[(2R)-2-phenylpropanoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is sourced from PubChem (CID 11167110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).