1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

C26H34N6O3 — CID 118757309

IUPAC1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C26H34N6O3/c1-19(2)23-20(17-29-32(23)25-27-11-8-21(30-25)22-7-6-14-35-22)24(33)28-18-26(9-4-3-5-10-26)31-12-15-34-16-13-31/h6-8,11,14,17,19H,3-5,9-10,12-13,15-16,18H2,1-2H3,(H,28,33)
InChIKeyWXQKXQXMJANYFK-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.81
Rot. Bonds7

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 118757309) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID118757309
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C26H34N6O3/c1-19(2)23-20(17-29-32(23)25-27-11-8-21(30-25)22-7-6-14-35-22)24(33)28-18-26(9-4-3-5-10-26)31-12-15-34-16-13-31/h6-8,11,14,17,19H,3-5,9-10,12-13,15-16,18H2,1-2H3,(H,28,33)
InChIKeyWXQKXQXMJANYFK-UHFFFAOYSA-N
XLogP3.81
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 118757309) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cnn1-c1nccc(-c2ccco2)n1.
What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WXQKXQXMJANYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-19(2)23-20(17-29-32(23)25-27-11-8-21(30-25)22-7-6-14-35-22)24(33)28-18-26(9-4-3-5-10-26)31-12-15-34-16-13-31/h6-8,11,14,17,19H,3-5,9-10,12-13,15-16,18H2,1-2H3,(H,28,33).
What are the key properties of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 118757309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).