N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H29N5O2S — CID 30238526

IUPACN-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H29N5O2S/c1-18(2)31-25-21(16-28-31)20(15-22(29-25)19-7-4-3-5-8-19)26(32)27-17-23(24-9-6-14-34-24)30-10-12-33-13-11-30/h3-9,14-16,18,23H,10-13,17H2,1-2H3,(H,27,32)/t23-/m0/s1
InChIKeyZPRHFSDMSNPZIA-QHCPKHFHSA-N
MW475.62 g/mol
LogP4.54
Rot. Bonds7

About N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30238526) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30238526
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C26H29N5O2S/c1-18(2)31-25-21(16-28-31)20(15-22(29-25)19-7-4-3-5-8-19)26(32)27-17-23(24-9-6-14-34-24)30-10-12-33-13-11-30/h3-9,14-16,18,23H,10-13,17H2,1-2H3,(H,27,32)/t23-/m0/s1
InChIKeyZPRHFSDMSNPZIA-QHCPKHFHSA-N
XLogP4.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30238526) is N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZPRHFSDMSNPZIA-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-18(2)31-25-21(16-28-31)20(15-22(29-25)19-7-4-3-5-8-19)26(32)27-17-23(24-9-6-14-34-24)30-10-12-33-13-11-30/h3-9,14-16,18,23H,10-13,17H2,1-2H3,(H,27,32)/t23-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30238526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).