N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

C24H31FN6O3 — CID 59508131

IUPACN-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)C1(F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C24H31FN6O3/c1-23(2)19-17(20(29-28-19)27-21(32)18-5-3-4-10-26-18)15-31(23)22(33)24(25)8-11-30(12-9-24)16-6-13-34-14-7-16/h3-5,10,16H,6-9,11-15H2,1-2H3,(H2,27,28,29,32)
InChIKeyHWKSZPXMOZBKAY-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.62
Rot. Bonds4

About N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 59508131) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID59508131
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC NameN-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)C1(F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C24H31FN6O3/c1-23(2)19-17(20(29-28-19)27-21(32)18-5-3-4-10-26-18)15-31(23)22(33)24(25)8-11-30(12-9-24)16-6-13-34-14-7-16/h3-5,10,16H,6-9,11-15H2,1-2H3,(H2,27,28,29,32)
InChIKeyHWKSZPXMOZBKAY-UHFFFAOYSA-N
XLogP2.62
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (CID 59508131) is N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is CC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)C1(F)CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is HWKSZPXMOZBKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-23(2)19-17(20(29-28-19)27-21(32)18-5-3-4-10-26-18)15-31(23)22(33)24(25)8-11-30(12-9-24)16-6-13-34-14-7-16/h3-5,10,16H,6-9,11-15H2,1-2H3,(H2,27,28,29,32).
What are the key properties of N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-fluoro-1-(oxan-4-yl)piperidine-4-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59508131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).