5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide

C28H28N8O2 — CID 168831993

IUPAC5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C28H28N8O2/c1-16-15-38-10-9-35(16)25-12-24(32-28(33-25)22-5-4-6-23-21(22)7-8-31-23)26-17(2)34-36(18(26)3)20-11-19(27(29)37)13-30-14-20/h4-8,11-14,16,31H,9-10,15H2,1-3H3,(H2,29,37)/t16-/m1/s1
InChIKeyZRVXHBFTGCHGRY-MRXNPFEDSA-N
MW508.59 g/mol
LogP3.81
Rot. Bonds5

About 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide

5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 168831993) has the molecular formula C28H28N8O2 and a molecular weight of 508.59 g/mol. Its IUPAC name is 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
PubChem CID168831993
Molecular FormulaC28H28N8O2
Molecular Weight508.59 g/mol
Exact Mass508.23
IUPAC Name5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C28H28N8O2/c1-16-15-38-10-9-35(16)25-12-24(32-28(33-25)22-5-4-6-23-21(22)7-8-31-23)26-17(2)34-36(18(26)3)20-11-19(27(29)37)13-30-14-20/h4-8,11-14,16,31H,9-10,15H2,1-3H3,(H2,29,37)/t16-/m1/s1
InChIKeyZRVXHBFTGCHGRY-MRXNPFEDSA-N
XLogP3.81
TPSA127.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide (CID 168831993) is 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.
What is the InChIKey of 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is ZRVXHBFTGCHGRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C28H28N8O2/c1-16-15-38-10-9-35(16)25-12-24(32-28(33-25)22-5-4-6-23-21(22)7-8-31-23)26-17(2)34-36(18(26)3)20-11-19(27(29)37)13-30-14-20/h4-8,11-14,16,31H,9-10,15H2,1-3H3,(H2,29,37)/t16-/m1/s1.
What are the key properties of 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 508.59 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 168831993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).