N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide

C23H24N6O2 — CID 58980051

IUPACN-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide
SMILESCCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H24N6O2/c1-2-29-15-20(18-7-9-24-22-19(18)8-10-25-22)21(27-29)16-3-5-17(6-4-16)26-23(30)28-11-13-31-14-12-28/h3-10,15H,2,11-14H2,1H3,(H,24,25)(H,26,30)
InChIKeyFQYXMUWTKZIXOP-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.98
Rot. Bonds4

About N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide

N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide (PubChem CID 58980051) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide
PubChem CID58980051
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide
SMILESCCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H24N6O2/c1-2-29-15-20(18-7-9-24-22-19(18)8-10-25-22)21(27-29)16-3-5-17(6-4-16)26-23(30)28-11-13-31-14-12-28/h3-10,15H,2,11-14H2,1H3,(H,24,25)(H,26,30)
InChIKeyFQYXMUWTKZIXOP-UHFFFAOYSA-N
XLogP3.98
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 58980061
N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 58980003
1-(1,2-dihydropyridin-5-yl)-3-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 59703326
4-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 151444691
N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide
CID 70964851
1-ethyl-3-[4-[1-ethyl-4-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]urea
CID 46888772
1-cyclohexyl-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 44587528
1-[4-[1-(1,2-dihydroxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 58980009
3-[4-[1-ethyl-4-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-1,1-dimethylurea
CID 58980055
1,1-diethyl-3-[4-[1-ethyl-4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]urea
CID 24816135
methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate
CID 70964916
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide (CID 58980051) is N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide is CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is FQYXMUWTKZIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-2-29-15-20(18-7-9-24-22-19(18)8-10-25-22)21(27-29)16-3-5-17(6-4-16)26-23(30)28-11-13-31-14-12-28/h3-10,15H,2,11-14H2,1H3,(H,24,25)(H,26,30).
What are the key properties of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide?
N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 58980051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).