5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine

C27H32N6O — CID 178129721

IUPAC5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
SMILESC[C@@H]1CN(c2cccc(Nc3cc(-c4ccc5c(c4)c(N(C)C)nn5C)ccn3)c2)C[C@H](C)O1
InChIInChI=1S/C27H32N6O/c1-18-16-33(17-19(2)34-18)23-8-6-7-22(15-23)29-26-14-21(11-12-28-26)20-9-10-25-24(13-20)27(31(3)4)30-32(25)5/h6-15,18-19H,16-17H2,1-5H3,(H,28,29)/t18-,19+
InChIKeyWDHDWPAMMUAFSK-KDURUIRLSA-N
MW456.59 g/mol
LogP5.06
Rot. Bonds5

About 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine

5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine (PubChem CID 178129721) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine.

Molecular Properties

Compound Name5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
PubChem CID178129721
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
SMILESC[C@@H]1CN(c2cccc(Nc3cc(-c4ccc5c(c4)c(N(C)C)nn5C)ccn3)c2)C[C@H](C)O1
InChIInChI=1S/C27H32N6O/c1-18-16-33(17-19(2)34-18)23-8-6-7-22(15-23)29-26-14-21(11-12-28-26)20-9-10-25-24(13-20)27(31(3)4)30-32(25)5/h6-15,18-19H,16-17H2,1-5H3,(H,28,29)/t18-,19+
InChIKeyWDHDWPAMMUAFSK-KDURUIRLSA-N
XLogP5.06
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine with MolForge

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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
N,N-dimethyl-5-[2-(3-morpholin-4-ylanilino)-4-pyridinyl]-1,2-benzoxazol-3-amine
CID 178129676
4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
CID 178129654
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 67695006
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline
CID 178129755
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine
CID 178129679
N-[4-[2-(difluoromethyl)indazol-5-yl]-2-pyridinyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 178129764
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
CID 99788867
2-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-(1,2,4-triazol-4-yl)phenyl]pyridine-2,4-diamine
CID 167515361
5-N-[4-(2,6-dimethylmorpholin-4-yl)-2-methylphenyl]-1-methylbenzimidazole-2,5-diamine
CID 167300182
5-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-1-methylbenzimidazole-2,5-diamine
CID 167300395
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine?
The IUPAC name of 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine (CID 178129721) is 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine.
What is the SMILES notation for 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine?
The canonical SMILES for 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine is C[C@@H]1CN(c2cccc(Nc3cc(-c4ccc5c(c4)c(N(C)C)nn5C)ccn3)c2)C[C@H](C)O1.
What is the InChIKey of 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine?
The InChIKey is WDHDWPAMMUAFSK-KDURUIRLSA-N. The full InChI is InChI=1S/C27H32N6O/c1-18-16-33(17-19(2)34-18)23-8-6-7-22(15-23)29-26-14-21(11-12-28-26)20-9-10-25-24(13-20)27(31(3)4)30-32(25)5/h6-15,18-19H,16-17H2,1-5H3,(H,28,29)/t18-,19+.
What are the key properties of 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine?
5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine has a molecular weight of 456.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine is sourced from PubChem (CID 178129721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).