N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C39H46N8O7 — CID 170051246

IUPACN-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(CCOC4CCN(C(=O)c5ccc(OC)c(N6CCC(=O)NC6=O)c5)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C39H46N8O7/c1-25-5-4-6-30(40-25)37(49)41-32-21-27-24-47(43-31(27)23-35(32)53-3)28-9-14-44(15-10-28)19-20-54-29-11-16-45(17-12-29)38(50)26-7-8-34(52-2)33(22-26)46-18-13-36(48)42-39(46)51/h4-8,21-24,28-29H,9-20H2,1-3H3,(H,41,49)(H,42,48,51)
InChIKeyFMFQDDDRHQCCPU-UHFFFAOYSA-N
MW738.85 g/mol
LogP4.41
Rot. Bonds11

About N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170051246) has the molecular formula C39H46N8O7 and a molecular weight of 738.85 g/mol. Its IUPAC name is N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID170051246
Molecular FormulaC39H46N8O7
Molecular Weight738.85 g/mol
Exact Mass738.35
IUPAC NameN-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(CCOC4CCN(C(=O)c5ccc(OC)c(N6CCC(=O)NC6=O)c5)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C39H46N8O7/c1-25-5-4-6-30(40-25)37(49)41-32-21-27-24-47(43-31(27)23-35(32)53-3)28-9-14-44(15-10-28)19-20-54-29-11-16-45(17-12-29)38(50)26-7-8-34(52-2)33(22-26)46-18-13-36(48)42-39(46)51/h4-8,21-24,28-29H,9-20H2,1-3H3,(H,41,49)(H,42,48,51)
InChIKeyFMFQDDDRHQCCPU-UHFFFAOYSA-N
XLogP4.41
TPSA160.46 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.85
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[1-[5-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]pentyl]azepan-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051219
N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051308
N-[2-[1-[2-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721661
N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051304
N-[2-[1-[2-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,4,4a,5,6,7,8,9,10,10a-decahydro-1H-cycloocta[c]pyridin-7-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163461569
N-[6-methoxy-2-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051500
tert-butyl 4-[2-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 170051548
tert-butyl 4-[3-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]propyl]piperidine-1-carboxylate
CID 170051499
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 156707443
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
3-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propanoic acid
CID 171800036
N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051651

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170051246) is N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCN(CCOC4CCN(C(=O)c5ccc(OC)c(N6CCC(=O)NC6=O)c5)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is FMFQDDDRHQCCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N8O7/c1-25-5-4-6-30(40-25)37(49)41-32-21-27-24-47(43-31(27)23-35(32)53-3)28-9-14-44(15-10-28)19-20-54-29-11-16-45(17-12-29)38(50)26-7-8-34(52-2)33(22-26)46-18-13-36(48)42-39(46)51/h4-8,21-24,28-29H,9-20H2,1-3H3,(H,41,49)(H,42,48,51).
What are the key properties of N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 738.85 g/mol, XLogP of 4.41, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170051246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).