(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine

C25H27N5OS — CID 30961231

IUPAC(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESc1ccc(-n2cc(CNC[C@H](c3cccs3)N3CCOCC3)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C25H27N5OS/c1-2-7-22(8-3-1)30-19-21(25(28-30)20-6-4-10-26-16-20)17-27-18-23(24-9-5-15-32-24)29-11-13-31-14-12-29/h1-10,15-16,19,23,27H,11-14,17-18H2/t23-/m1/s1
InChIKeyQDEKDXQRXZMUNP-HSZRJFAPSA-N
MW445.59 g/mol
LogP4.16
Rot. Bonds8

About (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine

(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 30961231) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID30961231
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESc1ccc(-n2cc(CNC[C@H](c3cccs3)N3CCOCC3)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C25H27N5OS/c1-2-7-22(8-3-1)30-19-21(25(28-30)20-6-4-10-26-16-20)17-27-18-23(24-9-5-15-32-24)29-11-13-31-14-12-29/h1-10,15-16,19,23,27H,11-14,17-18H2/t23-/m1/s1
InChIKeyQDEKDXQRXZMUNP-HSZRJFAPSA-N
XLogP4.16
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine (CID 30961231) is (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine is c1ccc(-n2cc(CNC[C@H](c3cccs3)N3CCOCC3)c(-c3cccnc3)n2)cc1.
What is the InChIKey of (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is QDEKDXQRXZMUNP-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-2-7-22(8-3-1)30-19-21(25(28-30)20-6-4-10-26-16-20)17-27-18-23(24-9-5-15-32-24)29-11-13-31-14-12-29/h1-10,15-16,19,23,27H,11-14,17-18H2/t23-/m1/s1.
What are the key properties of (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 445.59 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 30961231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).