4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid

C23H24N6O3 — CID 139406079

IUPAC4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid
SMILESCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1
InChIInChI=1S/C23H24N6O3/c1-13-11-25-28(3)21(13)19-10-20(29-6-7-32-12-14(29)2)27-22(26-19)17-8-15(23(30)31)9-18-16(17)4-5-24-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3,(H,30,31)/t14-/m1/s1
InChIKeyLGAMHYZQFPDHOT-CQSZACIVSA-N
MW432.48 g/mol
LogP3.26
Rot. Bonds4

About 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid

4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid (PubChem CID 139406079) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid
PubChem CID139406079
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid
SMILESCc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1
InChIInChI=1S/C23H24N6O3/c1-13-11-25-28(3)21(13)19-10-20(29-6-7-32-12-14(29)2)27-22(26-19)17-8-15(23(30)31)9-18-16(17)4-5-24-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3,(H,30,31)/t14-/m1/s1
InChIKeyLGAMHYZQFPDHOT-CQSZACIVSA-N
XLogP3.26
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
The IUPAC name of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid (CID 139406079) is 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid is Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cc(C(=O)O)cc3[nH]ccc23)n1.
What is the InChIKey of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
The InChIKey is LGAMHYZQFPDHOT-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-13-11-25-28(3)21(13)19-10-20(29-6-7-32-12-14(29)2)27-22(26-19)17-8-15(23(30)31)9-18-16(17)4-5-24-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3,(H,30,31)/t14-/m1/s1.
What are the key properties of 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid?
4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 139406079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).