N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C26H25N5O — CID 37028631

IUPACN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c3ccccc13)c(C)nn2C
InChIInChI=1S/C26H25N5O/c1-16-21(13-20-17(2)30-31(3)25(20)29-16)26(32)28-14-22(18-9-5-4-6-10-18)23-15-27-24-12-8-7-11-19(23)24/h4-13,15,22,27H,14H2,1-3H3,(H,28,32)/t22-/m1/s1
InChIKeyOXUWQVLHQSSNJQ-JOCHJYFZSA-N
MW423.52 g/mol
LogP4.63
Rot. Bonds5

About N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 37028631) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID37028631
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c3ccccc13)c(C)nn2C
InChIInChI=1S/C26H25N5O/c1-16-21(13-20-17(2)30-31(3)25(20)29-16)26(32)28-14-22(18-9-5-4-6-10-18)23-15-27-24-12-8-7-11-19(23)24/h4-13,15,22,27H,14H2,1-3H3,(H,28,32)/t22-/m1/s1
InChIKeyOXUWQVLHQSSNJQ-JOCHJYFZSA-N
XLogP4.63
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55515573
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42959831
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]prop-2-enamide
CID 134036476
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 37028631) is N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c3ccccc13)c(C)nn2C.
What is the InChIKey of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OXUWQVLHQSSNJQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25N5O/c1-16-21(13-20-17(2)30-31(3)25(20)29-16)26(32)28-14-22(18-9-5-4-6-10-18)23-15-27-24-12-8-7-11-19(23)24/h4-13,15,22,27H,14H2,1-3H3,(H,28,32)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 37028631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).