4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid

C34H35N5O4 — CID 170313756

IUPAC4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid
SMILESCN(c1ccc2c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)nn(C)c2c1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C34H35N5O4/c1-37(26-17-19-39(20-18-26)34(40)41)27-13-14-28-30(21-27)38(2)36-32(28)29-15-16-31(42-22-24-9-5-3-6-10-24)35-33(29)43-23-25-11-7-4-8-12-25/h3-16,21,26H,17-20,22-23H2,1-2H3,(H,40,41)
InChIKeyIULXGYLCRVSYNS-UHFFFAOYSA-N
MW577.69 g/mol
LogP6.37
Rot. Bonds9

About 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid

4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid (PubChem CID 170313756) has the molecular formula C34H35N5O4 and a molecular weight of 577.69 g/mol. Its IUPAC name is 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid
PubChem CID170313756
Molecular FormulaC34H35N5O4
Molecular Weight577.69 g/mol
Exact Mass577.27
IUPAC Name4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid
SMILESCN(c1ccc2c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)nn(C)c2c1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C34H35N5O4/c1-37(26-17-19-39(20-18-26)34(40)41)27-13-14-28-30(21-27)38(2)36-32(28)29-15-16-31(42-22-24-9-5-3-6-10-24)35-33(29)43-23-25-11-7-4-8-12-25/h3-16,21,26H,17-20,22-23H2,1-2H3,(H,40,41)
InChIKeyIULXGYLCRVSYNS-UHFFFAOYSA-N
XLogP6.37
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylate
CID 169265542
[(2R,4R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-methylpiperidin-4-yl]-methylcarbamic acid
CID 170313754
(3S,4R)-4-[[4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidine-1-carboxylic acid
CID 170434850
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol
CID 170321681
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-amine
CID 170321835
tert-butyl 4-[(1R)-1-[4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 170616756
4-[(1R)-1-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]piperidin-4-yl]-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 170433417
[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
CID 170629428
[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid
CID 170313748
tert-butyl 4-[(1S)-1-[4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate
CID 170617118
tert-butyl 4-[[(2R)-4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-methylpiperazin-1-yl]methyl]piperidine-1-carboxylate
CID 170616948
tert-butyl 4-[[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]piperidin-4-yl]methyl]-1,4-diazepane-1-carboxylate
CID 170432913

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid (CID 170313756) is 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid is CN(c1ccc2c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)nn(C)c2c1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid?
The InChIKey is IULXGYLCRVSYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O4/c1-37(26-17-19-39(20-18-26)34(40)41)27-13-14-28-30(21-27)38(2)36-32(28)29-15-16-31(42-22-24-9-5-3-6-10-24)35-33(29)43-23-25-11-7-4-8-12-25/h3-16,21,26H,17-20,22-23H2,1-2H3,(H,40,41).
What are the key properties of 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid?
4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid has a molecular weight of 577.69 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-methylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 170313756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).