N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H30FN5O2 — CID 43043352

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c12
InChIInChI=1S/C24H30FN5O2/c1-15(2)20-13-19(22-16(3)28-29(4)23(22)27-20)24(31)26-14-21(30-9-11-32-12-10-30)17-5-7-18(25)8-6-17/h5-8,13,15,21H,9-12,14H2,1-4H3,(H,26,31)
InChIKeyNBQZVODDSGQERR-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43043352) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43043352
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c12
InChIInChI=1S/C24H30FN5O2/c1-15(2)20-13-19(22-16(3)28-29(4)23(22)27-20)24(31)26-14-21(30-9-11-32-12-10-30)17-5-7-18(25)8-6-17/h5-8,13,15,21H,9-12,14H2,1-4H3,(H,26,31)
InChIKeyNBQZVODDSGQERR-UHFFFAOYSA-N
XLogP3.34
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46522573
6-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 154859385
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42955667
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
7-fluoro-2-methyl-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-3-carboxamide
CID 46569951
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4807578

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43043352) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c12.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NBQZVODDSGQERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-15(2)20-13-19(22-16(3)28-29(4)23(22)27-20)24(31)26-14-21(30-9-11-32-12-10-30)17-5-7-18(25)8-6-17/h5-8,13,15,21H,9-12,14H2,1-4H3,(H,26,31).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43043352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).