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

C24H37N7O2 — CID 91970544

IUPACN-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
SMILESC.CCCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)CC)[C@@H](C)C1
InChIInChI=1S/C23H33N7O2.CH4/c1-5-11-28-12-13-29(16(3)14-28)22(32)30-15-17-19(23(30,4)6-2)26-27-20(17)25-21(31)18-9-7-8-10-24-18;/h7-10,16H,5-6,11-15H2,1-4H3,(H2,25,26,27,31);1H4/t16-,23?;/m0./s1
InChIKeyQEQCOADMEKBBKE-WFOOPUOOSA-N
MW455.61 g/mol
LogP3.67
Rot. Bonds5

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

N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane (PubChem CID 91970544) has the molecular formula C24H37N7O2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane.

Molecular Properties

Compound NameN-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
PubChem CID91970544
Molecular FormulaC24H37N7O2
Molecular Weight455.61 g/mol
Exact Mass455.30
IUPAC NameN-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
SMILESC.CCCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)CC)[C@@H](C)C1
InChIInChI=1S/C23H33N7O2.CH4/c1-5-11-28-12-13-29(16(3)14-28)22(32)30-15-17-19(23(30,4)6-2)26-27-20(17)25-21(31)18-9-7-8-10-24-18;/h7-10,16H,5-6,11-15H2,1-4H3,(H2,25,26,27,31);1H4/t16-,23?;/m0./s1
InChIKeyQEQCOADMEKBBKE-WFOOPUOOSA-N
XLogP3.67
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
The IUPAC name of N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane (CID 91970544) is N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane.
What is the SMILES notation for N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
The canonical SMILES for N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane is C.CCCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)CC)[C@@H](C)C1.
What is the InChIKey of N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
The InChIKey is QEQCOADMEKBBKE-WFOOPUOOSA-N. The full InChI is InChI=1S/C23H33N7O2.CH4/c1-5-11-28-12-13-29(16(3)14-28)22(32)30-15-17-19(23(30,4)6-2)26-27-20(17)25-21(31)18-9-7-8-10-24-18;/h7-10,16H,5-6,11-15H2,1-4H3,(H2,25,26,27,31);1H4/t16-,23?;/m0./s1.
What are the key properties of N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane?
N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane has a molecular weight of 455.61 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-6-methyl-5-[(2S)-2-methyl-4-propylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane is sourced from PubChem (CID 91970544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).