N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline

C25H27N5O — CID 178129755

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline
SMILESC[C@@H]1CN(c2cccc(Nc3cccc(-c4ccc5nn(C)cc5n4)c3)c2)C[C@H](C)O1
InChIInChI=1S/C25H27N5O/c1-17-14-30(15-18(2)31-17)22-9-5-8-21(13-22)26-20-7-4-6-19(12-20)23-10-11-24-25(27-23)16-29(3)28-24/h4-13,16-18,26H,14-15H2,1-3H3/t17-,18+
InChIKeyRSVBJGDEBLAZFH-HDICACEKSA-N
MW413.53 g/mol
LogP4.99
Rot. Bonds4

About N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline (PubChem CID 178129755) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline
PubChem CID178129755
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline
SMILESC[C@@H]1CN(c2cccc(Nc3cccc(-c4ccc5nn(C)cc5n4)c3)c2)C[C@H](C)O1
InChIInChI=1S/C25H27N5O/c1-17-14-30(15-18(2)31-17)22-9-5-8-21(13-22)26-20-7-4-6-19(12-20)23-10-11-24-25(27-23)16-29(3)28-24/h4-13,16-18,26H,14-15H2,1-3H3/t17-,18+
InChIKeyRSVBJGDEBLAZFH-HDICACEKSA-N
XLogP4.99
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyridin-2-amine
CID 178129694
5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
CID 178129721
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
4-N-[[3-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 123464348
N-[2-[[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-5-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
CID 154666839
5-chloro-N-[3-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]-2-oxopropyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 164980347
4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
CID 178129654
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide
CID 59230914
5-N-[4-(2,6-dimethylmorpholin-4-yl)-2-methylphenyl]-1-methylbenzimidazole-2,5-diamine
CID 167300182

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline (CID 178129755) is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline is C[C@@H]1CN(c2cccc(Nc3cccc(-c4ccc5nn(C)cc5n4)c3)c2)C[C@H](C)O1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline?
The InChIKey is RSVBJGDEBLAZFH-HDICACEKSA-N. The full InChI is InChI=1S/C25H27N5O/c1-17-14-30(15-18(2)31-17)22-9-5-8-21(13-22)26-20-7-4-6-19(12-20)23-10-11-24-25(27-23)16-29(3)28-24/h4-13,16-18,26H,14-15H2,1-3H3/t17-,18+.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline?
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline has a molecular weight of 413.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline is sourced from PubChem (CID 178129755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).