6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

C27H27N7O2 — CID 44540595

IUPAC6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(Cc2cccc(C(=O)Nc3cc(-c4ccnc5[nH]ccc45)cc4[nH]ncc34)n2)C[C@H](C)O1
InChIInChI=1S/C27H27N7O2/c1-16-13-34(14-17(2)36-16)15-19-4-3-5-23(31-19)27(35)32-24-10-18(11-25-22(24)12-30-33-25)20-6-8-28-26-21(20)7-9-29-26/h3-12,16-17H,13-15H2,1-2H3,(H,28,29)(H,30,33)(H,32,35)/t16-,17+
InChIKeyUDKSTNTTYMZHRN-CALCHBBNSA-N
MW481.56 g/mol
LogP4.36
Rot. Bonds5

About 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (PubChem CID 44540595) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
PubChem CID44540595
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(Cc2cccc(C(=O)Nc3cc(-c4ccnc5[nH]ccc45)cc4[nH]ncc34)n2)C[C@H](C)O1
InChIInChI=1S/C27H27N7O2/c1-16-13-34(14-17(2)36-16)15-19-4-3-5-23(31-19)27(35)32-24-10-18(11-25-22(24)12-30-33-25)20-6-8-28-26-21(20)7-9-29-26/h3-12,16-17H,13-15H2,1-2H3,(H,28,29)(H,30,33)(H,32,35)/t16-,17+
InChIKeyUDKSTNTTYMZHRN-CALCHBBNSA-N
XLogP4.36
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid
CID 159698795
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
formic acid;6-(piperidin-1-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide
CID 160530211
formic acid;6-(morpholin-4-ylmethyl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-isoindol-4-yl]pyridine-2-carboxamide
CID 160856865
4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide
CID 67318982
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 44540955
6-methyl-N-[1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)indazol-4-yl]pyridine-2-carboxamide
CID 44540496
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
CID 44540326
4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 90975633
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255832
2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 53233323

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (CID 44540595) is 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is C[C@@H]1CN(Cc2cccc(C(=O)Nc3cc(-c4ccnc5[nH]ccc45)cc4[nH]ncc34)n2)C[C@H](C)O1.
What is the InChIKey of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is UDKSTNTTYMZHRN-CALCHBBNSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-16-13-34(14-17(2)36-16)15-19-4-3-5-23(31-19)27(35)32-24-10-18(11-25-22(24)12-30-33-25)20-6-8-28-26-21(20)7-9-29-26/h3-12,16-17H,13-15H2,1-2H3,(H,28,29)(H,30,33)(H,32,35)/t16-,17+.
What are the key properties of 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44540595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).