6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine

C32H37N9O2 — CID 121272147

IUPAC6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ccn(-c2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc2)n1
InChIInChI=1S/C32H37N9O2/c1-23-9-12-41(36-23)26-6-4-25(5-7-26)33-31-22-29(34-32(35-31)40-15-19-43-20-16-40)24-3-8-27-28(37-38(2)30(27)21-24)10-11-39-13-17-42-18-14-39/h3-9,12,21-22H,10-11,13-20H2,1-2H3,(H,33,34,35)
InChIKeyZFUNHLPFEZVOHW-UHFFFAOYSA-N
MW579.71 g/mol
LogP3.98
Rot. Bonds8

About 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine

6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272147) has the molecular formula C32H37N9O2 and a molecular weight of 579.71 g/mol. Its IUPAC name is 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272147
Molecular FormulaC32H37N9O2
Molecular Weight579.71 g/mol
Exact Mass579.31
IUPAC Name6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ccn(-c2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc2)n1
InChIInChI=1S/C32H37N9O2/c1-23-9-12-41(36-23)26-6-4-25(5-7-26)33-31-22-29(34-32(35-31)40-15-19-43-20-16-40)24-3-8-27-28(37-38(2)30(27)21-24)10-11-39-13-17-42-18-14-39/h3-9,12,21-22H,10-11,13-20H2,1-2H3,(H,33,34,35)
InChIKeyZFUNHLPFEZVOHW-UHFFFAOYSA-N
XLogP3.98
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272147) is 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1ccn(-c2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc2)n1.
What is the InChIKey of 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is ZFUNHLPFEZVOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N9O2/c1-23-9-12-41(36-23)26-6-4-25(5-7-26)33-31-22-29(34-32(35-31)40-15-19-43-20-16-40)24-3-8-27-28(37-38(2)30(27)21-24)10-11-39-13-17-42-18-14-39/h3-9,12,21-22H,10-11,13-20H2,1-2H3,(H,33,34,35).
What are the key properties of 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 579.71 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).