[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid

C26H27N5O4 — CID 69197770

IUPAC[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid
SMILESCOc1ccc(Cn2ncc3c(N4CCOC(CNC(=O)O)C4)c(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C26H27N5O4/c1-34-20-9-7-18(8-10-20)16-31-25-23(15-29-31)24(22(14-27-25)19-5-3-2-4-6-19)30-11-12-35-21(17-30)13-28-26(32)33/h2-10,14-15,21,28H,11-13,16-17H2,1H3,(H,32,33)
InChIKeyHDLGVGUKUIWVKL-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.63
Rot. Bonds7

About [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid

[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid (PubChem CID 69197770) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid
PubChem CID69197770
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid
SMILESCOc1ccc(Cn2ncc3c(N4CCOC(CNC(=O)O)C4)c(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C26H27N5O4/c1-34-20-9-7-18(8-10-20)16-31-25-23(15-29-31)24(22(14-27-25)19-5-3-2-4-6-19)30-11-12-35-21(17-30)13-28-26(32)33/h2-10,14-15,21,28H,11-13,16-17H2,1H3,(H,32,33)
InChIKeyHDLGVGUKUIWVKL-UHFFFAOYSA-N
XLogP3.63
TPSA101.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid?
The IUPAC name of [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid (CID 69197770) is [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid.
What is the SMILES notation for [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid?
The canonical SMILES for [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid is COc1ccc(Cn2ncc3c(N4CCOC(CNC(=O)O)C4)c(-c4ccccc4)cnc32)cc1.
What is the InChIKey of [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid?
The InChIKey is HDLGVGUKUIWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-34-20-9-7-18(8-10-20)16-31-25-23(15-29-31)24(22(14-27-25)19-5-3-2-4-6-19)30-11-12-35-21(17-30)13-28-26(32)33/h2-10,14-15,21,28H,11-13,16-17H2,1H3,(H,32,33).
What are the key properties of [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid?
[4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid has a molecular weight of 473.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(4-methoxyphenyl)methyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]morpholin-2-yl]methylcarbamic acid is sourced from PubChem (CID 69197770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).