N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide

C30H25N9O3 — CID 170672876

IUPACN-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)c5cnco5)cccc4C3=O)cccc12
InChIInChI=1S/C30H25N9O3/c1-16-11-33-30(35-25-10-17(2)38(3)37-25)36-26(16)20-12-32-27-18(20)6-5-9-23(27)39-14-21-19(29(39)41)7-4-8-22(21)34-28(40)24-13-31-15-42-24/h4-13,15,32H,14H2,1-3H3,(H,34,40)(H,33,35,36,37)
InChIKeyLGUOUKPQFVRJEF-UHFFFAOYSA-N
MW559.59 g/mol
LogP5.12
Rot. Bonds6

About N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide

N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide (PubChem CID 170672876) has the molecular formula C30H25N9O3 and a molecular weight of 559.59 g/mol. Its IUPAC name is N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide
PubChem CID170672876
Molecular FormulaC30H25N9O3
Molecular Weight559.59 g/mol
Exact Mass559.21
IUPAC NameN-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)c5cnco5)cccc4C3=O)cccc12
InChIInChI=1S/C30H25N9O3/c1-16-11-33-30(35-25-10-17(2)38(3)37-25)36-26(16)20-12-32-27-18(20)6-5-9-23(27)39-14-21-19(29(39)41)7-4-8-22(21)34-28(40)24-13-31-15-42-24/h4-13,15,32H,14H2,1-3H3,(H,34,40)(H,33,35,36,37)
InChIKeyLGUOUKPQFVRJEF-UHFFFAOYSA-N
XLogP5.12
TPSA146.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.59
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide (CID 170672876) is N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)c5cnco5)cccc4C3=O)cccc12.
What is the InChIKey of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is LGUOUKPQFVRJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N9O3/c1-16-11-33-30(35-25-10-17(2)38(3)37-25)36-26(16)20-12-32-27-18(20)6-5-9-23(27)39-14-21-19(29(39)41)7-4-8-22(21)34-28(40)24-13-31-15-42-24/h4-13,15,32H,14H2,1-3H3,(H,34,40)(H,33,35,36,37).
What are the key properties of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide?
N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 559.59 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 170672876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).