N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

C23H32FN7O2 — CID 59508179

IUPACN-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CCCF
InChIInChI=1S/C23H32FN7O2/c1-15-13-30(16(2)12-29(15)11-7-9-24)22(33)31-14-17-19(23(31,3)4)27-28-20(17)26-21(32)18-8-5-6-10-25-18/h5-6,8,10,15-16H,7,9,11-14H2,1-4H3,(H2,26,27,28,32)/t15-,16+/m1/s1
InChIKeyCQEVDYWSPUUMTG-CVEARBPZSA-N
MW457.55 g/mol
LogP2.98
Rot. Bonds5

About N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 59508179) has the molecular formula C23H32FN7O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID59508179
Molecular FormulaC23H32FN7O2
Molecular Weight457.55 g/mol
Exact Mass457.26
IUPAC NameN-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CCCF
InChIInChI=1S/C23H32FN7O2/c1-15-13-30(16(2)12-29(15)11-7-9-24)22(33)31-14-17-19(23(31,3)4)27-28-20(17)26-21(32)18-8-5-6-10-25-18/h5-6,8,10,15-16H,7,9,11-14H2,1-4H3,(H2,26,27,28,32)/t15-,16+/m1/s1
InChIKeyCQEVDYWSPUUMTG-CVEARBPZSA-N
XLogP2.98
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-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-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (CID 59508179) is N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CCCF.
What is the InChIKey of N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is CQEVDYWSPUUMTG-CVEARBPZSA-N. The full InChI is InChI=1S/C23H32FN7O2/c1-15-13-30(16(2)12-29(15)11-7-9-24)22(33)31-14-17-19(23(31,3)4)27-28-20(17)26-21(32)18-8-5-6-10-25-18/h5-6,8,10,15-16H,7,9,11-14H2,1-4H3,(H2,26,27,28,32)/t15-,16+/m1/s1.
What are the key properties of N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,5R)-4-(3-fluoropropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59508179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).