N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide

C48H56N12O4 — CID 164966330

IUPACN-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CC[C@@H](c2ccc3cn(C)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.C[C@H]1CC[C@H](c2ccc3cn(C)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1
InChIInChI=1S/2C24H28N6O2/c2*1-14-3-8-21(16-6-7-17-13-29(2)28-20(17)9-16)30(12-14)24(32)23(31)27-18-10-19(15-4-5-15)22(25)26-11-18/h2*6-7,9-11,13-15,21H,3-5,8,12H2,1-2H3,(H2,25,26)(H,27,31)/t2*14-,21+/m10/s1
InChIKeyCNIQWWFJOOYSMB-HNRYTLAKSA-N
MW865.06 g/mol
LogP6.73
Rot. Bonds6

About N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 164966330) has the molecular formula C48H56N12O4 and a molecular weight of 865.06 g/mol. Its IUPAC name is N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID164966330
Molecular FormulaC48H56N12O4
Molecular Weight865.06 g/mol
Exact Mass864.45
IUPAC NameN-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CC[C@@H](c2ccc3cn(C)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.C[C@H]1CC[C@H](c2ccc3cn(C)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1
InChIInChI=1S/2C24H28N6O2/c2*1-14-3-8-21(16-6-7-17-13-29(2)28-20(17)9-16)30(12-14)24(32)23(31)27-18-10-19(15-4-5-15)22(25)26-11-18/h2*6-7,9-11,13-15,21H,3-5,8,12H2,1-2H3,(H2,25,26)(H,27,31)/t2*14-,21+/m10/s1
InChIKeyCNIQWWFJOOYSMB-HNRYTLAKSA-N
XLogP6.73
TPSA212.28 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.06
LogP ≤ 56.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide (CID 164966330) is N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide is C[C@@H]1CC[C@@H](c2ccc3cn(C)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.C[C@H]1CC[C@H](c2ccc3cn(C)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.
What is the InChIKey of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is CNIQWWFJOOYSMB-HNRYTLAKSA-N. The full InChI is InChI=1S/2C24H28N6O2/c2*1-14-3-8-21(16-6-7-17-13-29(2)28-20(17)9-16)30(12-14)24(32)23(31)27-18-10-19(15-4-5-15)22(25)26-11-18/h2*6-7,9-11,13-15,21H,3-5,8,12H2,1-2H3,(H2,25,26)(H,27,31)/t2*14-,21+/m10/s1.
What are the key properties of N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 865.06 g/mol, XLogP of 6.73, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164966330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).