1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

C27H30N6O3 — CID 29150188

IUPAC1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1)N1CCOCC1
InChIInChI=1S/C27H30N6O3/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)20-16-30-33(24(20)18-7-8-18)26-28-10-9-21(31-26)23-15-19-5-3-4-6-22(19)36-23/h3-6,9-10,15-16,18H,7-8,11-14,17H2,1-2H3,(H,29,34)
InChIKeyZXPZCONAXKFWKL-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.79
Rot. Bonds7

About 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 29150188) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID29150188
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1)N1CCOCC1
InChIInChI=1S/C27H30N6O3/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)20-16-30-33(24(20)18-7-8-18)26-28-10-9-21(31-26)23-15-19-5-3-4-6-22(19)36-23/h3-6,9-10,15-16,18H,7-8,11-14,17H2,1-2H3,(H,29,34)
InChIKeyZXPZCONAXKFWKL-UHFFFAOYSA-N
XLogP3.79
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 29150188) is 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is CC(C)(CNC(=O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1)N1CCOCC1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is ZXPZCONAXKFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)20-16-30-33(24(20)18-7-8-18)26-28-10-9-21(31-26)23-15-19-5-3-4-6-22(19)36-23/h3-6,9-10,15-16,18H,7-8,11-14,17H2,1-2H3,(H,29,34).
What are the key properties of 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 29150188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).