N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C25H27N7O3 — CID 71541802

IUPACN-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C25H27N7O3/c33-24(19-6-4-5-18(28-19)17-15-26-27-16-17)29-20-14-23-21(13-22(20)31-7-2-1-3-8-31)30-25(35-23)32-9-11-34-12-10-32/h4-6,13-16H,1-3,7-12H2,(H,26,27)(H,29,33)
InChIKeyDBMFXHNNDCFLTG-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.69
Rot. Bonds5

About N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 71541802) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID71541802
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C25H27N7O3/c33-24(19-6-4-5-18(28-19)17-15-26-27-16-17)29-20-14-23-21(13-22(20)31-7-2-1-3-8-31)30-25(35-23)32-9-11-34-12-10-32/h4-6,13-16H,1-3,7-12H2,(H,26,27)(H,29,33)
InChIKeyDBMFXHNNDCFLTG-UHFFFAOYSA-N
XLogP3.69
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 71541802) is N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCCCC1)c1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is DBMFXHNNDCFLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c33-24(19-6-4-5-18(28-19)17-15-26-27-16-17)29-20-14-23-21(13-22(20)31-7-2-1-3-8-31)30-25(35-23)32-9-11-34-12-10-32/h4-6,13-16H,1-3,7-12H2,(H,26,27)(H,29,33).
What are the key properties of N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71541802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).