(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine

C63H62N18O — CID 144697738

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2cc(-c3[nH]nc4c(C5CCN(c6cc(-c7[nH]nc8c(C9CCCN(c%10cc(-c%11n[nH]c%12ccc(-c%13cnn(C)c%13)cc%11%12)ccn%10)C9)cc(-c9cnn(C)c9)cc78)ccn6)C5)cc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1
InChIInChI=1S/C63H62N18O/c1-37-30-81(31-38(2)82-37)58-26-42(12-16-66-58)61-54-23-46(49-29-69-78(5)34-49)21-51(63(54)75-73-61)44-13-18-80(36-44)57-25-41(11-15-65-57)60-53-22-45(48-28-68-77(4)33-48)20-50(62(53)74-72-60)43-7-6-17-79(35-43)56-24-40(10-14-64-56)59-52-19-39(8-9-55(52)70-71-59)47-27-67-76(3)32-47/h8-12,14-16,19-29,32-34,37-38,43-44H,6-7,13,17-18,30-31,35-36H2,1-5H3,(H,70,71)(H,72,74)(H,73,75)/t37-,38+,43?,44?
InChIKeySWKSVYUHXBZRRR-VSSISQGHSA-N
MW1087.31 g/mol
LogP10.69
Rot. Bonds11

About (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 144697738) has the molecular formula C63H62N18O and a molecular weight of 1087.31 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID144697738
Molecular FormulaC63H62N18O
Molecular Weight1087.31 g/mol
Exact Mass1086.54
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2cc(-c3[nH]nc4c(C5CCN(c6cc(-c7[nH]nc8c(C9CCCN(c%10cc(-c%11n[nH]c%12ccc(-c%13cnn(C)c%13)cc%11%12)ccn%10)C9)cc(-c9cnn(C)c9)cc78)ccn6)C5)cc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1
InChIInChI=1S/C63H62N18O/c1-37-30-81(31-38(2)82-37)58-26-42(12-16-66-58)61-54-23-46(49-29-69-78(5)34-49)21-51(63(54)75-73-61)44-13-18-80(36-44)57-25-41(11-15-65-57)60-53-22-45(48-28-68-77(4)33-48)20-50(62(53)74-72-60)43-7-6-17-79(35-43)56-24-40(10-14-64-56)59-52-19-39(8-9-55(52)70-71-59)47-27-67-76(3)32-47/h8-12,14-16,19-29,32-34,37-38,43-44H,6-7,13,17-18,30-31,35-36H2,1-5H3,(H,70,71)(H,72,74)(H,73,75)/t37-,38+,43?,44?
InChIKeySWKSVYUHXBZRRR-VSSISQGHSA-N
XLogP10.69
TPSA197.12 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.31
LogP ≤ 510.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine 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

4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400634
4-[4-(5-cyclopropyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400825
4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine
CID 136273082
(2R,6S)-2,6-dimethyl-4-[6-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 90398601
(2S,6R)-2,6-dimethyl-4-[6-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 90398647
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137088374
US10513523, Example 212
CID 122655873
(2R,6S)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90401082
US10513523, Example 238
CID 122656038
US10513523, Example 239
CID 122656193
US10729680, Example 57
CID 138610662

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine (CID 144697738) is (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine is C[C@@H]1CN(c2cc(-c3[nH]nc4c(C5CCN(c6cc(-c7[nH]nc8c(C9CCCN(c%10cc(-c%11n[nH]c%12ccc(-c%13cnn(C)c%13)cc%11%12)ccn%10)C9)cc(-c9cnn(C)c9)cc78)ccn6)C5)cc(-c5cnn(C)c5)cc34)ccn2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is SWKSVYUHXBZRRR-VSSISQGHSA-N. The full InChI is InChI=1S/C63H62N18O/c1-37-30-81(31-38(2)82-37)58-26-42(12-16-66-58)61-54-23-46(49-29-69-78(5)34-49)21-51(63(54)75-73-61)44-13-18-80(36-44)57-25-41(11-15-65-57)60-53-22-45(48-28-68-77(4)33-48)20-50(62(53)74-72-60)43-7-6-17-79(35-43)56-24-40(10-14-64-56)59-52-19-39(8-9-55(52)70-71-59)47-27-67-76(3)32-47/h8-12,14-16,19-29,32-34,37-38,43-44H,6-7,13,17-18,30-31,35-36H2,1-5H3,(H,70,71)(H,72,74)(H,73,75)/t37-,38+,43?,44?.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 1087.31 g/mol, XLogP of 10.69, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-7-[1-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-2H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 144697738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).