N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline

C19H22N4O — CID 59811898

IUPACN,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(N4CCOCC4)c3c2)cc1
InChIInChI=1S/C19H22N4O/c1-22(2)16-5-3-14(4-6-16)15-11-17-18(13-21-19(17)20-12-15)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,20,21)
InChIKeyLNQQVOPBTOSAQC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.13
Rot. Bonds3

About N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline

N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline (PubChem CID 59811898) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
PubChem CID59811898
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(N4CCOCC4)c3c2)cc1
InChIInChI=1S/C19H22N4O/c1-22(2)16-5-3-14(4-6-16)15-11-17-18(13-21-19(17)20-12-15)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,20,21)
InChIKeyLNQQVOPBTOSAQC-UHFFFAOYSA-N
XLogP3.13
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline (CID 59811898) is N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline is CN(C)c1ccc(-c2cnc3[nH]cc(N4CCOCC4)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline?
The InChIKey is LNQQVOPBTOSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(2)16-5-3-14(4-6-16)15-11-17-18(13-21-19(17)20-12-15)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline?
N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline has a molecular weight of 322.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)aniline is sourced from PubChem (CID 59811898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).