[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid

C33H31N5O5 — CID 170313748

IUPAC[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid
SMILESCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N3CCC(NC(=O)O)CC3=O)cc21
InChIInChI=1S/C33H31N5O5/c1-37-28-19-25(38-17-16-24(18-30(38)39)34-33(40)41)12-13-26(28)31(36-37)27-14-15-29(42-20-22-8-4-2-5-9-22)35-32(27)43-21-23-10-6-3-7-11-23/h2-15,19,24,34H,16-18,20-21H2,1H3,(H,40,41)
InChIKeySCXJNQRPKGCMHM-UHFFFAOYSA-N
MW577.64 g/mol
LogP5.56
Rot. Bonds9

About [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid

[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid (PubChem CID 170313748) has the molecular formula C33H31N5O5 and a molecular weight of 577.64 g/mol. Its IUPAC name is [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid
PubChem CID170313748
Molecular FormulaC33H31N5O5
Molecular Weight577.64 g/mol
Exact Mass577.23
IUPAC Name[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid
SMILESCn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N3CCC(NC(=O)O)CC3=O)cc21
InChIInChI=1S/C33H31N5O5/c1-37-28-19-25(38-17-16-24(18-30(38)39)34-33(40)41)12-13-26(28)31(36-37)27-14-15-29(42-20-22-8-4-2-5-9-22)35-32(27)43-21-23-10-6-3-7-11-23/h2-15,19,24,34H,16-18,20-21H2,1H3,(H,40,41)
InChIKeySCXJNQRPKGCMHM-UHFFFAOYSA-N
XLogP5.56
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid (CID 170313748) is [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid is Cn1nc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(N3CCC(NC(=O)O)CC3=O)cc21.
What is the InChIKey of [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid?
The InChIKey is SCXJNQRPKGCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O5/c1-37-28-19-25(38-17-16-24(18-30(38)39)34-33(40)41)12-13-26(28)31(36-37)27-14-15-29(42-20-22-8-4-2-5-9-22)35-32(27)43-21-23-10-6-3-7-11-23/h2-15,19,24,34H,16-18,20-21H2,1H3,(H,40,41).
What are the key properties of [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid?
[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid has a molecular weight of 577.64 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]-2-oxopiperidin-4-yl]carbamic acid is sourced from PubChem (CID 170313748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).