N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

C28H31N5O2 — CID 11488222

IUPACN-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NC(Cc3ccccc3)c3ccccc3)cnc21
InChIInChI=1S/C28H31N5O2/c1-2-33-27-23(19-30-33)26(31-22-13-15-35-16-14-22)24(18-29-27)28(34)32-25(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,18-19,22,25H,2,13-17H2,1H3,(H,29,31)(H,32,34)
InChIKeyCQQPDZHJIIEADU-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.76
Rot. Bonds8

About N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11488222) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11488222
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NC(Cc3ccccc3)c3ccccc3)cnc21
InChIInChI=1S/C28H31N5O2/c1-2-33-27-23(19-30-33)26(31-22-13-15-35-16-14-22)24(18-29-27)28(34)32-25(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,18-19,22,25H,2,13-17H2,1H3,(H,29,31)(H,32,34)
InChIKeyCQQPDZHJIIEADU-UHFFFAOYSA-N
XLogP4.76
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 11488222) is N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCOCC3)c(C(=O)NC(Cc3ccccc3)c3ccccc3)cnc21.
What is the InChIKey of N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is CQQPDZHJIIEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-2-33-27-23(19-30-33)26(31-22-13-15-35-16-14-22)24(18-29-27)28(34)32-25(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20/h3-12,18-19,22,25H,2,13-17H2,1H3,(H,29,31)(H,32,34).
What are the key properties of N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11488222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).