6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide

C29H32N10O2 — CID 170715358

IUPAC6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cncc(OC2CCN(Cc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)n1
InChIInChI=1S/C29H32N10O2/c1-17-11-33-29(35-24-10-18(2)38(4)37-24)36-26(17)22-12-32-27-19(6-5-7-21(22)27)15-39-9-8-20(16-39)41-25-14-31-13-23(34-25)28(40)30-3/h5-7,10-14,20,32H,8-9,15-16H2,1-4H3,(H,30,40)(H,33,35,36,37)
InChIKeyCZPCKBKXYUTTQR-UHFFFAOYSA-N
MW552.64 g/mol
LogP3.52
Rot. Bonds8

About 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide

6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide (PubChem CID 170715358) has the molecular formula C29H32N10O2 and a molecular weight of 552.64 g/mol. Its IUPAC name is 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide
PubChem CID170715358
Molecular FormulaC29H32N10O2
Molecular Weight552.64 g/mol
Exact Mass552.27
IUPAC Name6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cncc(OC2CCN(Cc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)n1
InChIInChI=1S/C29H32N10O2/c1-17-11-33-29(35-24-10-18(2)38(4)37-24)36-26(17)22-12-32-27-19(6-5-7-21(22)27)15-39-9-8-20(16-39)41-25-14-31-13-23(34-25)28(40)30-3/h5-7,10-14,20,32H,8-9,15-16H2,1-4H3,(H,30,40)(H,33,35,36,37)
InChIKeyCZPCKBKXYUTTQR-UHFFFAOYSA-N
XLogP3.52
TPSA138.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.64
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide?
The IUPAC name of 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide (CID 170715358) is 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide is CNC(=O)c1cncc(OC2CCN(Cc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)n1.
What is the InChIKey of 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide?
The InChIKey is CZPCKBKXYUTTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N10O2/c1-17-11-33-29(35-24-10-18(2)38(4)37-24)36-26(17)22-12-32-27-19(6-5-7-21(22)27)15-39-9-8-20(16-39)41-25-14-31-13-23(34-25)28(40)30-3/h5-7,10-14,20,32H,8-9,15-16H2,1-4H3,(H,30,40)(H,33,35,36,37).
What are the key properties of 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide?
6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide has a molecular weight of 552.64 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]methyl]pyrrolidin-3-yl]oxy-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 170715358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).