2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate

C45H46F2N12O5 — CID 160899148

IUPAC2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
SMILESCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)NCCO.CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)OC.NCCO
InChIInChI=1S/C22H21FN6O2.C21H18FN5O2.C2H7NO/c1-2-14-12-26-20(27-18(14)22(31)25-10-11-30)19-16-7-5-9-24-21(16)29(28-19)13-15-6-3-4-8-17(15)23;1-3-13-11-24-19(25-17(13)21(28)29-2)18-15-8-6-10-23-20(15)27(26-18)12-14-7-4-5-9-16(14)22;3-1-2-4/h3-9,12,30H,2,10-11,13H2,1H3,(H,25,31);4-11H,3,12H2,1-2H3;4H,1-3H2
InChIKeySPGPYKTXJBTKIO-UHFFFAOYSA-N
MW872.94 g/mol
LogP4.72
Rot. Bonds13

About 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate

2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate (PubChem CID 160899148) has the molecular formula C45H46F2N12O5 and a molecular weight of 872.94 g/mol. Its IUPAC name is 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Name2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
PubChem CID160899148
Molecular FormulaC45H46F2N12O5
Molecular Weight872.94 g/mol
Exact Mass872.37
IUPAC Name2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
SMILESCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)NCCO.CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)OC.NCCO
InChIInChI=1S/C22H21FN6O2.C21H18FN5O2.C2H7NO/c1-2-14-12-26-20(27-18(14)22(31)25-10-11-30)19-16-7-5-9-24-21(16)29(28-19)13-15-6-3-4-8-17(15)23;1-3-13-11-24-19(25-17(13)21(28)29-2)18-15-8-6-10-23-20(15)27(26-18)12-14-7-4-5-9-16(14)22;3-1-2-4/h3-9,12,30H,2,10-11,13H2,1H3,(H,25,31);4-11H,3,12H2,1-2H3;4H,1-3H2
InChIKeySPGPYKTXJBTKIO-UHFFFAOYSA-N
XLogP4.72
TPSA234.86 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.94
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

US10759793, Example 92
CID 134587603
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
US10759793, Example 38
CID 124125666
US10759793, Example 46
CID 124125668
US10640495, Example I-369
CID 135226373
US10640495, Example I-376
CID 135226377
US10640495, Example I-377
CID 135226378
US11161839, Example 10q
CID 135386395
Ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729814
Methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729817
5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 22714279
[2-Oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179723

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate?
The IUPAC name of 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate (CID 160899148) is 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate?
The canonical SMILES for 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate is CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)NCCO.CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)OC.NCCO.
What is the InChIKey of 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate?
The InChIKey is SPGPYKTXJBTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2.C21H18FN5O2.C2H7NO/c1-2-14-12-26-20(27-18(14)22(31)25-10-11-30)19-16-7-5-9-24-21(16)29(28-19)13-15-6-3-4-8-17(15)23;1-3-13-11-24-19(25-17(13)21(28)29-2)18-15-8-6-10-23-20(15)27(26-18)12-14-7-4-5-9-16(14)22;3-1-2-4/h3-9,12,30H,2,10-11,13H2,1H3,(H,25,31);4-11H,3,12H2,1-2H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate?
2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate has a molecular weight of 872.94 g/mol, XLogP of 4.72, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-hydroxyethyl)pyrimidine-4-carboxamide;methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 160899148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).