3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide

C28H30N10O4 — CID 174206619

IUPAC3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4cc(C(N)=O)on4)C3)cccc12
InChIInChI=1S/C28H30N10O4/c1-15-11-31-28(33-22-9-16(2)37(3)35-22)34-25(15)19-12-30-26-18(19)5-4-6-20(26)32-23(39)14-38-8-7-17(13-38)41-24-10-21(27(29)40)42-36-24/h4-6,9-12,17,30H,7-8,13-14H2,1-3H3,(H2,29,40)(H,32,39)(H,31,33,34,35)
InChIKeyNFIYUAQLWAZOIQ-UHFFFAOYSA-N
MW570.61 g/mol
LogP2.90
Rot. Bonds9

About 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide

3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide (PubChem CID 174206619) has the molecular formula C28H30N10O4 and a molecular weight of 570.61 g/mol. Its IUPAC name is 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide
PubChem CID174206619
Molecular FormulaC28H30N10O4
Molecular Weight570.61 g/mol
Exact Mass570.25
IUPAC Name3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4cc(C(N)=O)on4)C3)cccc12
InChIInChI=1S/C28H30N10O4/c1-15-11-31-28(33-22-9-16(2)37(3)35-22)34-25(15)19-12-30-26-18(19)5-4-6-20(26)32-23(39)14-38-8-7-17(13-38)41-24-10-21(27(29)40)42-36-24/h4-6,9-12,17,30H,7-8,13-14H2,1-3H3,(H2,29,40)(H,32,39)(H,31,33,34,35)
InChIKeyNFIYUAQLWAZOIQ-UHFFFAOYSA-N
XLogP2.90
TPSA182.11 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.61
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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

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Related Compounds

3-[(3S)-1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-N-methyl-1,2-oxazole-5-carboxamide
CID 170673072
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(1-methylpyrazol-3-yl)oxypyrrolidin-1-yl]acetamide
CID 170672814
2-[(3S)-3-[2-amino-6-(methylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide
CID 170672832
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(3-fluorophenoxy)pyrrolidin-1-yl]acetamide
CID 170673043
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(4-phenylphenoxy)pyrrolidin-1-yl]acetamide
CID 170672755
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
CID 174202403
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
CID 170673264
2-[3-[6-(diethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide
CID 174162886
2-[(3S)-3-(4-aminopyrimidin-2-yl)oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide
CID 170673013
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
CID 170673069
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide
CID 174206282
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide
CID 170673027

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide (CID 174206619) is 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4cc(C(N)=O)on4)C3)cccc12.
What is the InChIKey of 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide?
The InChIKey is NFIYUAQLWAZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N10O4/c1-15-11-31-28(33-22-9-16(2)37(3)35-22)34-25(15)19-12-30-26-18(19)5-4-6-20(26)32-23(39)14-38-8-7-17(13-38)41-24-10-21(27(29)40)42-36-24/h4-6,9-12,17,30H,7-8,13-14H2,1-3H3,(H2,29,40)(H,32,39)(H,31,33,34,35).
What are the key properties of 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide?
3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide has a molecular weight of 570.61 g/mol, XLogP of 2.90, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 174206619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).