1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

C20H25N7O2 — CID 97407343

IUPAC1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(-c2cnc(-c3ccnn3C)nc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H25N7O2/c1-25-14-15(16-12-22-19(23-13-16)17-3-4-24-26(17)2)11-18(25)20(28)21-5-6-27-7-9-29-10-8-27/h3-4,11-14H,5-10H2,1-2H3,(H,21,28)
InChIKeyVVFXHCATITXCOI-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.94
Rot. Bonds6

About 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 97407343) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID97407343
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(-c2cnc(-c3ccnn3C)nc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H25N7O2/c1-25-14-15(16-12-22-19(23-13-16)17-3-4-24-26(17)2)11-18(25)20(28)21-5-6-27-7-9-29-10-8-27/h3-4,11-14H,5-10H2,1-2H3,(H,21,28)
InChIKeyVVFXHCATITXCOI-UHFFFAOYSA-N
XLogP0.94
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 59656712
N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 10984873
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
2-[(2-methylpyrazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117080435
4-(furan-3-carbonylamino)-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 11146356
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
7-(1,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468313
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
1-methyl-4-[[4-[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 44627929
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
4-formamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 127047136

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 97407343) is 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is Cn1cc(-c2cnc(-c3ccnn3C)nc2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is VVFXHCATITXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25-14-15(16-12-22-19(23-13-16)17-3-4-24-26(17)2)11-18(25)20(28)21-5-6-27-7-9-29-10-8-27/h3-4,11-14H,5-10H2,1-2H3,(H,21,28).
What are the key properties of 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 97407343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).