N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane

C22H33N7O2 — CID 91970553

IUPACN-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
SMILESC.CCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C1
InChIInChI=1S/C21H29N7O2.CH4/c1-5-26-10-11-27(14(2)12-26)20(30)28-13-15-17(21(28,3)4)24-25-18(15)23-19(29)16-8-6-7-9-22-16;/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,25,29);1H4/t14-;/m0./s1
InChIKeyLSLKRIBLEYJBPM-UQKRIMTDSA-N
MW427.55 g/mol
LogP2.89
Rot. Bonds3

About N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane

N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane (PubChem CID 91970553) has the molecular formula C22H33N7O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane.

Molecular Properties

Compound NameN-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
PubChem CID91970553
Molecular FormulaC22H33N7O2
Molecular Weight427.55 g/mol
Exact Mass427.27
IUPAC NameN-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
SMILESC.CCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C1
InChIInChI=1S/C21H29N7O2.CH4/c1-5-26-10-11-27(14(2)12-26)20(30)28-13-15-17(21(28,3)4)24-25-18(15)23-19(29)16-8-6-7-9-22-16;/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,25,29);1H4/t14-;/m0./s1
InChIKeyLSLKRIBLEYJBPM-UQKRIMTDSA-N
XLogP2.89
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
The IUPAC name of N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane (CID 91970553) is N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane.
What is the SMILES notation for N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
The canonical SMILES for N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane is C.CCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C1.
What is the InChIKey of N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
The InChIKey is LSLKRIBLEYJBPM-UQKRIMTDSA-N. The full InChI is InChI=1S/C21H29N7O2.CH4/c1-5-26-10-11-27(14(2)12-26)20(30)28-13-15-17(21(28,3)4)24-25-18(15)23-19(29)16-8-6-7-9-22-16;/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,25,29);1H4/t14-;/m0./s1.
What are the key properties of N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane has a molecular weight of 427.55 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane is sourced from PubChem (CID 91970553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).