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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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).